USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 549 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 12:sc= 0.742 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 98:sc= 0.378 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 156:sc= 1.27 (180deg=0.623) USER MOD Single : A 33 GLN : amide:sc= -0.95 K(o=-0.95,f=-0.0022) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.036) USER MOD Single : A 47 HIS : no HD1:sc= 0.208 K(o=0.21,f=-1.9) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.39) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc=-0.00871 X(o=-0.0087,f=-0.25) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 113:sc= -0.191! USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 11:sc= 0.518 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.568 -11.348 -6.227 1.00 0.00 N ATOM 2 CA GLY A 1 24.200 -10.531 -7.368 1.00 0.00 C ATOM 3 C GLY A 1 22.709 -10.551 -7.640 1.00 0.00 C ATOM 4 O GLY A 1 22.121 -11.614 -7.836 1.00 0.00 O ATOM 0 H1 GLY A 1 25.597 -11.300 -6.083 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.083 -10.996 -5.377 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.288 -12.334 -6.402 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.520 -9.504 -7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.732 -10.885 -8.251 1.00 0.00 H new ATOM 8 N SER A 2 22.095 -9.372 -7.649 1.00 0.00 N ATOM 9 CA SER A 2 20.662 -9.259 -7.892 1.00 0.00 C ATOM 10 C SER A 2 20.390 -8.645 -9.263 1.00 0.00 C ATOM 11 O SER A 2 20.348 -7.424 -9.411 1.00 0.00 O ATOM 12 CB SER A 2 20.003 -8.411 -6.802 1.00 0.00 C ATOM 13 OG SER A 2 20.002 -9.090 -5.559 1.00 0.00 O ATOM 0 H SER A 2 22.568 -8.482 -7.491 1.00 0.00 H new ATOM 0 HA SER A 2 20.235 -10.262 -7.870 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.534 -7.464 -6.702 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.979 -8.173 -7.091 1.00 0.00 H new ATOM 0 HG SER A 2 19.577 -8.527 -4.879 1.00 0.00 H new ATOM 19 N SER A 3 20.207 -9.503 -10.262 1.00 0.00 N ATOM 20 CA SER A 3 19.944 -9.047 -11.622 1.00 0.00 C ATOM 21 C SER A 3 18.831 -8.004 -11.639 1.00 0.00 C ATOM 22 O SER A 3 18.979 -6.931 -12.222 1.00 0.00 O ATOM 23 CB SER A 3 19.563 -10.230 -12.514 1.00 0.00 C ATOM 24 OG SER A 3 20.611 -11.182 -12.573 1.00 0.00 O ATOM 0 H SER A 3 20.236 -10.517 -10.155 1.00 0.00 H new ATOM 0 HA SER A 3 20.854 -8.588 -12.008 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.659 -10.703 -12.130 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.334 -9.873 -13.518 1.00 0.00 H new ATOM 0 HG SER A 3 20.342 -11.929 -13.148 1.00 0.00 H new ATOM 30 N GLY A 4 17.714 -8.328 -10.994 1.00 0.00 N ATOM 31 CA GLY A 4 16.591 -7.410 -10.946 1.00 0.00 C ATOM 32 C GLY A 4 15.488 -7.890 -10.024 1.00 0.00 C ATOM 33 O GLY A 4 15.466 -9.054 -9.625 1.00 0.00 O ATOM 0 H GLY A 4 17.567 -9.210 -10.504 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.939 -6.432 -10.613 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.189 -7.280 -11.951 1.00 0.00 H new ATOM 37 N SER A 5 14.570 -6.990 -9.684 1.00 0.00 N ATOM 38 CA SER A 5 13.462 -7.327 -8.798 1.00 0.00 C ATOM 39 C SER A 5 12.307 -6.346 -8.977 1.00 0.00 C ATOM 40 O SER A 5 12.494 -5.131 -8.915 1.00 0.00 O ATOM 41 CB SER A 5 13.927 -7.325 -7.341 1.00 0.00 C ATOM 42 OG SER A 5 14.761 -8.438 -7.070 1.00 0.00 O ATOM 0 H SER A 5 14.572 -6.023 -10.008 1.00 0.00 H new ATOM 0 HA SER A 5 13.112 -8.326 -9.058 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.467 -6.402 -7.130 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.061 -7.346 -6.680 1.00 0.00 H new ATOM 0 HG SER A 5 15.021 -8.865 -7.913 1.00 0.00 H new ATOM 48 N SER A 6 11.111 -6.884 -9.198 1.00 0.00 N ATOM 49 CA SER A 6 9.925 -6.057 -9.389 1.00 0.00 C ATOM 50 C SER A 6 8.969 -6.198 -8.209 1.00 0.00 C ATOM 51 O SER A 6 8.134 -7.101 -8.176 1.00 0.00 O ATOM 52 CB SER A 6 9.212 -6.444 -10.687 1.00 0.00 C ATOM 53 OG SER A 6 10.057 -6.254 -11.809 1.00 0.00 O ATOM 0 H SER A 6 10.938 -7.888 -9.249 1.00 0.00 H new ATOM 0 HA SER A 6 10.244 -5.017 -9.454 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.898 -7.487 -10.636 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.309 -5.845 -10.802 1.00 0.00 H new ATOM 0 HG SER A 6 9.579 -6.510 -12.625 1.00 0.00 H new ATOM 59 N GLY A 7 9.098 -5.297 -7.240 1.00 0.00 N ATOM 60 CA GLY A 7 8.240 -5.337 -6.070 1.00 0.00 C ATOM 61 C GLY A 7 8.758 -4.467 -4.942 1.00 0.00 C ATOM 62 O GLY A 7 9.667 -4.862 -4.213 1.00 0.00 O ATOM 0 H GLY A 7 9.781 -4.540 -7.244 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.238 -5.009 -6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.154 -6.366 -5.721 1.00 0.00 H new ATOM 66 N GLN A 8 8.178 -3.280 -4.798 1.00 0.00 N ATOM 67 CA GLN A 8 8.588 -2.352 -3.751 1.00 0.00 C ATOM 68 C GLN A 8 7.781 -2.577 -2.477 1.00 0.00 C ATOM 69 O GLN A 8 6.604 -2.222 -2.404 1.00 0.00 O ATOM 70 CB GLN A 8 8.421 -0.907 -4.226 1.00 0.00 C ATOM 71 CG GLN A 8 9.546 -0.430 -5.130 1.00 0.00 C ATOM 72 CD GLN A 8 9.398 1.025 -5.528 1.00 0.00 C ATOM 73 OE1 GLN A 8 8.575 1.752 -4.971 1.00 0.00 O ATOM 74 NE2 GLN A 8 10.197 1.459 -6.496 1.00 0.00 N ATOM 0 H GLN A 8 7.423 -2.938 -5.393 1.00 0.00 H new ATOM 0 HA GLN A 8 9.640 -2.535 -3.530 1.00 0.00 H new ATOM 0 HB2 GLN A 8 7.474 -0.816 -4.759 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.362 -0.252 -3.357 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.500 -0.568 -4.620 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.572 -1.047 -6.028 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.865 0.822 -6.930 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.143 2.429 -6.805 1.00 0.00 H new ATOM 83 N TYR A 9 8.421 -3.169 -1.474 1.00 0.00 N ATOM 84 CA TYR A 9 7.761 -3.444 -0.203 1.00 0.00 C ATOM 85 C TYR A 9 7.996 -2.310 0.789 1.00 0.00 C ATOM 86 O TYR A 9 9.134 -1.907 1.032 1.00 0.00 O ATOM 87 CB TYR A 9 8.268 -4.763 0.383 1.00 0.00 C ATOM 88 CG TYR A 9 8.296 -5.898 -0.615 1.00 0.00 C ATOM 89 CD1 TYR A 9 7.164 -6.235 -1.347 1.00 0.00 C ATOM 90 CD2 TYR A 9 9.456 -6.634 -0.827 1.00 0.00 C ATOM 91 CE1 TYR A 9 7.186 -7.272 -2.259 1.00 0.00 C ATOM 92 CE2 TYR A 9 9.487 -7.672 -1.738 1.00 0.00 C ATOM 93 CZ TYR A 9 8.349 -7.987 -2.451 1.00 0.00 C ATOM 94 OH TYR A 9 8.375 -9.020 -3.360 1.00 0.00 O ATOM 0 H TYR A 9 9.395 -3.467 -1.517 1.00 0.00 H new ATOM 0 HA TYR A 9 6.690 -3.524 -0.388 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.273 -4.613 0.778 1.00 0.00 H new ATOM 0 HB3 TYR A 9 7.634 -5.045 1.223 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.251 -5.676 -1.200 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.348 -6.390 -0.270 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.297 -7.521 -2.819 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.397 -8.233 -1.891 1.00 0.00 H new ATOM 0 HH TYR A 9 9.270 -9.420 -3.376 1.00 0.00 H new ATOM 104 N PHE A 10 6.911 -1.798 1.361 1.00 0.00 N ATOM 105 CA PHE A 10 6.997 -0.710 2.327 1.00 0.00 C ATOM 106 C PHE A 10 6.419 -1.132 3.675 1.00 0.00 C ATOM 107 O PHE A 10 5.740 -2.154 3.780 1.00 0.00 O ATOM 108 CB PHE A 10 6.255 0.523 1.806 1.00 0.00 C ATOM 109 CG PHE A 10 7.090 1.387 0.903 1.00 0.00 C ATOM 110 CD1 PHE A 10 7.552 0.901 -0.309 1.00 0.00 C ATOM 111 CD2 PHE A 10 7.411 2.685 1.268 1.00 0.00 C ATOM 112 CE1 PHE A 10 8.320 1.693 -1.142 1.00 0.00 C ATOM 113 CE2 PHE A 10 8.178 3.482 0.439 1.00 0.00 C ATOM 114 CZ PHE A 10 8.634 2.985 -0.767 1.00 0.00 C ATOM 0 H PHE A 10 5.962 -2.120 1.172 1.00 0.00 H new ATOM 0 HA PHE A 10 8.050 -0.462 2.464 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.365 0.200 1.266 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.916 1.118 2.654 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.309 -0.108 -0.607 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.058 3.078 2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.674 1.302 -2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.421 4.492 0.734 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.235 3.606 -1.415 1.00 0.00 H new ATOM 124 N VAL A 11 6.694 -0.338 4.705 1.00 0.00 N ATOM 125 CA VAL A 11 6.202 -0.628 6.046 1.00 0.00 C ATOM 126 C VAL A 11 5.361 0.525 6.585 1.00 0.00 C ATOM 127 O VAL A 11 5.790 1.678 6.571 1.00 0.00 O ATOM 128 CB VAL A 11 7.361 -0.903 7.022 1.00 0.00 C ATOM 129 CG1 VAL A 11 8.055 0.395 7.406 1.00 0.00 C ATOM 130 CG2 VAL A 11 6.856 -1.632 8.258 1.00 0.00 C ATOM 0 H VAL A 11 7.255 0.511 4.636 1.00 0.00 H new ATOM 0 HA VAL A 11 5.582 -1.521 5.969 1.00 0.00 H new ATOM 0 HB VAL A 11 8.089 -1.543 6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.871 0.181 8.096 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.453 0.874 6.511 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.339 1.062 7.886 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.689 -1.818 8.936 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.108 -1.020 8.761 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.409 -2.582 7.963 1.00 0.00 H new ATOM 140 N ALA A 12 4.162 0.204 7.059 1.00 0.00 N ATOM 141 CA ALA A 12 3.262 1.213 7.605 1.00 0.00 C ATOM 142 C ALA A 12 3.735 1.688 8.974 1.00 0.00 C ATOM 143 O ALA A 12 3.433 1.069 9.996 1.00 0.00 O ATOM 144 CB ALA A 12 1.846 0.663 7.695 1.00 0.00 C ATOM 0 H ALA A 12 3.791 -0.746 7.076 1.00 0.00 H new ATOM 0 HA ALA A 12 3.265 2.070 6.932 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.184 1.427 8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.502 0.380 6.700 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.836 -0.212 8.345 1.00 0.00 H new ATOM 150 N LEU A 13 4.478 2.789 8.989 1.00 0.00 N ATOM 151 CA LEU A 13 4.994 3.347 10.234 1.00 0.00 C ATOM 152 C LEU A 13 3.859 3.651 11.206 1.00 0.00 C ATOM 153 O LEU A 13 4.004 3.484 12.417 1.00 0.00 O ATOM 154 CB LEU A 13 5.794 4.620 9.952 1.00 0.00 C ATOM 155 CG LEU A 13 6.910 4.495 8.914 1.00 0.00 C ATOM 156 CD1 LEU A 13 7.157 5.832 8.232 1.00 0.00 C ATOM 157 CD2 LEU A 13 8.187 3.982 9.562 1.00 0.00 C ATOM 0 H LEU A 13 4.737 3.313 8.153 1.00 0.00 H new ATOM 0 HA LEU A 13 5.650 2.606 10.691 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.102 5.394 9.621 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.233 4.964 10.888 1.00 0.00 H new ATOM 0 HG LEU A 13 6.596 3.776 8.157 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.954 5.724 7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.245 6.160 7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.449 6.572 8.977 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.970 3.899 8.808 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.504 4.676 10.340 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.003 3.002 10.003 1.00 0.00 H new ATOM 169 N PHE A 14 2.729 4.096 10.667 1.00 0.00 N ATOM 170 CA PHE A 14 1.568 4.422 11.487 1.00 0.00 C ATOM 171 C PHE A 14 0.289 3.873 10.861 1.00 0.00 C ATOM 172 O PHE A 14 0.253 3.556 9.672 1.00 0.00 O ATOM 173 CB PHE A 14 1.452 5.937 11.665 1.00 0.00 C ATOM 174 CG PHE A 14 2.774 6.618 11.877 1.00 0.00 C ATOM 175 CD1 PHE A 14 3.530 7.043 10.797 1.00 0.00 C ATOM 176 CD2 PHE A 14 3.259 6.834 13.157 1.00 0.00 C ATOM 177 CE1 PHE A 14 4.747 7.669 10.989 1.00 0.00 C ATOM 178 CE2 PHE A 14 4.475 7.461 13.355 1.00 0.00 C ATOM 179 CZ PHE A 14 5.220 7.879 12.270 1.00 0.00 C ATOM 0 H PHE A 14 2.592 4.239 9.666 1.00 0.00 H new ATOM 0 HA PHE A 14 1.702 3.958 12.464 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.970 6.362 10.785 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.804 6.146 12.516 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.164 6.883 9.793 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.681 6.509 14.009 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.328 7.994 10.138 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.842 7.624 14.358 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.170 8.369 12.422 1.00 0.00 H new ATOM 189 N ASP A 15 -0.759 3.763 11.671 1.00 0.00 N ATOM 190 CA ASP A 15 -2.041 3.253 11.198 1.00 0.00 C ATOM 191 C ASP A 15 -2.789 4.318 10.403 1.00 0.00 C ATOM 192 O ASP A 15 -2.597 5.515 10.615 1.00 0.00 O ATOM 193 CB ASP A 15 -2.894 2.785 12.378 1.00 0.00 C ATOM 194 CG ASP A 15 -3.024 3.844 13.454 1.00 0.00 C ATOM 195 OD1 ASP A 15 -3.165 5.034 13.101 1.00 0.00 O ATOM 196 OD2 ASP A 15 -2.985 3.484 14.649 1.00 0.00 O ATOM 0 H ASP A 15 -0.746 4.020 12.658 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.848 2.405 10.541 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.886 2.512 12.019 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.452 1.886 12.808 1.00 0.00 H new ATOM 201 N TYR A 16 -3.642 3.874 9.487 1.00 0.00 N ATOM 202 CA TYR A 16 -4.418 4.789 8.657 1.00 0.00 C ATOM 203 C TYR A 16 -5.834 4.264 8.444 1.00 0.00 C ATOM 204 O TYR A 16 -6.074 3.058 8.495 1.00 0.00 O ATOM 205 CB TYR A 16 -3.729 4.995 7.307 1.00 0.00 C ATOM 206 CG TYR A 16 -4.534 5.832 6.338 1.00 0.00 C ATOM 207 CD1 TYR A 16 -4.535 7.218 6.422 1.00 0.00 C ATOM 208 CD2 TYR A 16 -5.292 5.235 5.338 1.00 0.00 C ATOM 209 CE1 TYR A 16 -5.269 7.986 5.539 1.00 0.00 C ATOM 210 CE2 TYR A 16 -6.028 5.995 4.450 1.00 0.00 C ATOM 211 CZ TYR A 16 -6.014 7.370 4.555 1.00 0.00 C ATOM 212 OH TYR A 16 -6.746 8.132 3.673 1.00 0.00 O ATOM 0 H TYR A 16 -3.814 2.886 9.300 1.00 0.00 H new ATOM 0 HA TYR A 16 -4.480 5.746 9.175 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.763 5.472 7.471 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.532 4.022 6.857 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.952 7.704 7.191 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.306 4.158 5.254 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.260 9.063 5.619 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.611 5.515 3.678 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.239 8.249 2.843 1.00 0.00 H new ATOM 222 N GLN A 17 -6.767 5.179 8.203 1.00 0.00 N ATOM 223 CA GLN A 17 -8.160 4.809 7.982 1.00 0.00 C ATOM 224 C GLN A 17 -8.682 5.408 6.680 1.00 0.00 C ATOM 225 O GLN A 17 -8.785 6.627 6.543 1.00 0.00 O ATOM 226 CB GLN A 17 -9.026 5.274 9.154 1.00 0.00 C ATOM 227 CG GLN A 17 -9.043 4.300 10.321 1.00 0.00 C ATOM 228 CD GLN A 17 -10.204 4.540 11.265 1.00 0.00 C ATOM 229 OE1 GLN A 17 -10.651 5.674 11.443 1.00 0.00 O ATOM 230 NE2 GLN A 17 -10.701 3.472 11.877 1.00 0.00 N ATOM 0 H GLN A 17 -6.584 6.181 8.156 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.214 3.723 7.909 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.662 6.240 9.503 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.047 5.426 8.803 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.096 3.281 9.938 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.107 4.385 10.873 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.300 2.551 11.701 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.483 3.573 12.524 1.00 0.00 H new ATOM 239 N ALA A 18 -9.010 4.543 5.726 1.00 0.00 N ATOM 240 CA ALA A 18 -9.523 4.986 4.436 1.00 0.00 C ATOM 241 C ALA A 18 -10.897 5.632 4.583 1.00 0.00 C ATOM 242 O ALA A 18 -11.726 5.175 5.370 1.00 0.00 O ATOM 243 CB ALA A 18 -9.589 3.818 3.464 1.00 0.00 C ATOM 0 H ALA A 18 -8.929 3.531 5.823 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.838 5.736 4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.974 4.164 2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.591 3.403 3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.250 3.049 3.864 1.00 0.00 H new ATOM 249 N ARG A 19 -11.130 6.697 3.823 1.00 0.00 N ATOM 250 CA ARG A 19 -12.403 7.406 3.871 1.00 0.00 C ATOM 251 C ARG A 19 -13.345 6.907 2.780 1.00 0.00 C ATOM 252 O ARG A 19 -14.551 6.779 2.995 1.00 0.00 O ATOM 253 CB ARG A 19 -12.178 8.911 3.717 1.00 0.00 C ATOM 254 CG ARG A 19 -11.078 9.458 4.612 1.00 0.00 C ATOM 255 CD ARG A 19 -11.610 9.827 5.988 1.00 0.00 C ATOM 256 NE ARG A 19 -11.589 8.692 6.906 1.00 0.00 N ATOM 257 CZ ARG A 19 -11.977 8.765 8.174 1.00 0.00 C ATOM 258 NH1 ARG A 19 -12.414 9.913 8.672 1.00 0.00 N ATOM 259 NH2 ARG A 19 -11.929 7.687 8.947 1.00 0.00 N ATOM 0 H ARG A 19 -10.454 7.088 3.167 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.863 7.211 4.840 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -11.931 9.128 2.678 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.109 9.433 3.939 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.287 8.715 4.714 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.632 10.336 4.146 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.012 10.639 6.402 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.630 10.198 5.894 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.258 7.794 6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.453 10.743 8.081 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.711 9.966 9.646 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.594 6.802 8.567 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.227 7.744 9.921 1.00 0.00 H new ATOM 273 N THR A 20 -12.787 6.628 1.606 1.00 0.00 N ATOM 274 CA THR A 20 -13.577 6.145 0.480 1.00 0.00 C ATOM 275 C THR A 20 -13.025 4.828 -0.054 1.00 0.00 C ATOM 276 O THR A 20 -11.846 4.522 0.119 1.00 0.00 O ATOM 277 CB THR A 20 -13.611 7.175 -0.665 1.00 0.00 C ATOM 278 OG1 THR A 20 -12.278 7.487 -1.084 1.00 0.00 O ATOM 279 CG2 THR A 20 -14.321 8.447 -0.227 1.00 0.00 C ATOM 0 H THR A 20 -11.791 6.728 1.410 1.00 0.00 H new ATOM 0 HA THR A 20 -14.591 5.989 0.849 1.00 0.00 H new ATOM 0 HB THR A 20 -14.161 6.739 -1.499 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.309 8.141 -1.813 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.333 9.160 -1.052 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.345 8.211 0.063 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.795 8.883 0.622 1.00 0.00 H new ATOM 287 N ALA A 21 -13.886 4.051 -0.703 1.00 0.00 N ATOM 288 CA ALA A 21 -13.484 2.767 -1.264 1.00 0.00 C ATOM 289 C ALA A 21 -12.179 2.893 -2.042 1.00 0.00 C ATOM 290 O ALA A 21 -11.316 2.019 -1.969 1.00 0.00 O ATOM 291 CB ALA A 21 -14.583 2.215 -2.159 1.00 0.00 C ATOM 0 H ALA A 21 -14.867 4.288 -0.853 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.320 2.073 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.269 1.256 -2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.493 2.079 -1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.775 2.914 -2.973 1.00 0.00 H new ATOM 297 N GLU A 22 -12.042 3.985 -2.788 1.00 0.00 N ATOM 298 CA GLU A 22 -10.842 4.223 -3.581 1.00 0.00 C ATOM 299 C GLU A 22 -9.588 4.106 -2.719 1.00 0.00 C ATOM 300 O GLU A 22 -8.580 3.542 -3.144 1.00 0.00 O ATOM 301 CB GLU A 22 -10.899 5.607 -4.231 1.00 0.00 C ATOM 302 CG GLU A 22 -11.799 5.669 -5.453 1.00 0.00 C ATOM 303 CD GLU A 22 -11.687 6.987 -6.195 1.00 0.00 C ATOM 304 OE1 GLU A 22 -12.285 7.981 -5.733 1.00 0.00 O ATOM 305 OE2 GLU A 22 -11.000 7.023 -7.237 1.00 0.00 O ATOM 0 H GLU A 22 -12.747 4.718 -2.860 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.798 3.464 -4.362 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.250 6.331 -3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.891 5.906 -4.517 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.544 4.853 -6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.834 5.516 -5.146 1.00 0.00 H new ATOM 312 N ASP A 23 -9.659 4.642 -1.505 1.00 0.00 N ATOM 313 CA ASP A 23 -8.531 4.598 -0.582 1.00 0.00 C ATOM 314 C ASP A 23 -8.405 3.218 0.055 1.00 0.00 C ATOM 315 O ASP A 23 -9.333 2.409 0.000 1.00 0.00 O ATOM 316 CB ASP A 23 -8.692 5.662 0.504 1.00 0.00 C ATOM 317 CG ASP A 23 -8.466 7.066 -0.022 1.00 0.00 C ATOM 318 OD1 ASP A 23 -7.295 7.496 -0.081 1.00 0.00 O ATOM 319 OD2 ASP A 23 -9.460 7.735 -0.375 1.00 0.00 O ATOM 0 H ASP A 23 -10.486 5.112 -1.137 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.622 4.802 -1.147 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.693 5.594 0.930 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.988 5.462 1.312 1.00 0.00 H new ATOM 324 N LEU A 24 -7.251 2.954 0.658 1.00 0.00 N ATOM 325 CA LEU A 24 -7.002 1.670 1.306 1.00 0.00 C ATOM 326 C LEU A 24 -6.745 1.854 2.798 1.00 0.00 C ATOM 327 O LEU A 24 -6.163 2.853 3.220 1.00 0.00 O ATOM 328 CB LEU A 24 -5.808 0.971 0.654 1.00 0.00 C ATOM 329 CG LEU A 24 -5.744 -0.547 0.824 1.00 0.00 C ATOM 330 CD1 LEU A 24 -6.873 -1.218 0.058 1.00 0.00 C ATOM 331 CD2 LEU A 24 -4.394 -1.079 0.364 1.00 0.00 C ATOM 0 H LEU A 24 -6.473 3.611 0.712 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.890 1.050 1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.818 1.197 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.893 1.401 1.062 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.862 -0.780 1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.811 -2.298 0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.831 -0.860 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.787 -0.977 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.366 -2.161 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.246 -0.834 -0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.602 -0.623 0.958 1.00 0.00 H new ATOM 343 N SER A 25 -7.182 0.882 3.592 1.00 0.00 N ATOM 344 CA SER A 25 -7.002 0.937 5.038 1.00 0.00 C ATOM 345 C SER A 25 -5.897 -0.016 5.484 1.00 0.00 C ATOM 346 O SER A 25 -5.730 -1.098 4.921 1.00 0.00 O ATOM 347 CB SER A 25 -8.310 0.588 5.751 1.00 0.00 C ATOM 348 OG SER A 25 -8.673 -0.761 5.518 1.00 0.00 O ATOM 0 H SER A 25 -7.663 0.047 3.258 1.00 0.00 H new ATOM 0 HA SER A 25 -6.712 1.953 5.304 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.201 0.759 6.822 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.105 1.247 5.402 1.00 0.00 H new ATOM 0 HG SER A 25 -9.511 -0.960 5.986 1.00 0.00 H new ATOM 354 N PHE A 26 -5.145 0.394 6.500 1.00 0.00 N ATOM 355 CA PHE A 26 -4.055 -0.422 7.022 1.00 0.00 C ATOM 356 C PHE A 26 -3.678 0.014 8.435 1.00 0.00 C ATOM 357 O PHE A 26 -4.164 1.030 8.933 1.00 0.00 O ATOM 358 CB PHE A 26 -2.834 -0.328 6.105 1.00 0.00 C ATOM 359 CG PHE A 26 -2.329 1.074 5.920 1.00 0.00 C ATOM 360 CD1 PHE A 26 -2.898 1.911 4.974 1.00 0.00 C ATOM 361 CD2 PHE A 26 -1.285 1.556 6.693 1.00 0.00 C ATOM 362 CE1 PHE A 26 -2.436 3.202 4.802 1.00 0.00 C ATOM 363 CE2 PHE A 26 -0.819 2.846 6.526 1.00 0.00 C ATOM 364 CZ PHE A 26 -1.394 3.670 5.578 1.00 0.00 C ATOM 0 H PHE A 26 -5.270 1.286 6.978 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.395 -1.457 7.058 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.033 -0.943 6.516 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.088 -0.745 5.131 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.713 1.550 4.364 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.830 0.916 7.435 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.889 3.844 4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.006 3.210 7.136 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.029 4.678 5.444 1.00 0.00 H new ATOM 374 N ARG A 27 -2.808 -0.761 9.075 1.00 0.00 N ATOM 375 CA ARG A 27 -2.367 -0.456 10.431 1.00 0.00 C ATOM 376 C ARG A 27 -0.847 -0.330 10.492 1.00 0.00 C ATOM 377 O ARG A 27 -0.151 -0.615 9.518 1.00 0.00 O ATOM 378 CB ARG A 27 -2.838 -1.542 11.400 1.00 0.00 C ATOM 379 CG ARG A 27 -4.351 -1.665 11.487 1.00 0.00 C ATOM 380 CD ARG A 27 -4.792 -2.145 12.861 1.00 0.00 C ATOM 381 NE ARG A 27 -6.223 -2.433 12.907 1.00 0.00 N ATOM 382 CZ ARG A 27 -6.759 -3.567 12.472 1.00 0.00 C ATOM 383 NH1 ARG A 27 -5.987 -4.517 11.961 1.00 0.00 N ATOM 384 NH2 ARG A 27 -8.071 -3.755 12.547 1.00 0.00 N ATOM 0 H ARG A 27 -2.395 -1.604 8.676 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.806 0.498 10.723 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.421 -2.500 11.089 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.441 -1.329 12.393 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.809 -0.699 11.273 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.705 -2.361 10.726 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.233 -3.042 13.128 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.551 -1.386 13.605 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.845 -1.724 13.295 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.978 -4.377 11.901 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.402 -5.387 11.628 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.669 -3.028 12.939 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.481 -4.627 12.212 1.00 0.00 H new ATOM 398 N ALA A 28 -0.341 0.100 11.643 1.00 0.00 N ATOM 399 CA ALA A 28 1.095 0.263 11.832 1.00 0.00 C ATOM 400 C ALA A 28 1.814 -1.080 11.767 1.00 0.00 C ATOM 401 O ALA A 28 1.661 -1.920 12.653 1.00 0.00 O ATOM 402 CB ALA A 28 1.378 0.951 13.159 1.00 0.00 C ATOM 0 H ALA A 28 -0.904 0.342 12.458 1.00 0.00 H new ATOM 0 HA ALA A 28 1.474 0.888 11.023 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.454 1.066 13.287 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.904 1.933 13.168 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.978 0.348 13.974 1.00 0.00 H new ATOM 408 N GLY A 29 2.597 -1.277 10.711 1.00 0.00 N ATOM 409 CA GLY A 29 3.327 -2.521 10.550 1.00 0.00 C ATOM 410 C GLY A 29 2.864 -3.312 9.343 1.00 0.00 C ATOM 411 O GLY A 29 3.669 -3.947 8.661 1.00 0.00 O ATOM 0 H GLY A 29 2.739 -0.597 9.964 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.391 -2.305 10.453 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.206 -3.128 11.447 1.00 0.00 H new ATOM 415 N ASP A 30 1.562 -3.277 9.078 1.00 0.00 N ATOM 416 CA ASP A 30 0.992 -3.997 7.945 1.00 0.00 C ATOM 417 C ASP A 30 1.909 -3.910 6.729 1.00 0.00 C ATOM 418 O ASP A 30 2.444 -2.846 6.416 1.00 0.00 O ATOM 419 CB ASP A 30 -0.388 -3.437 7.600 1.00 0.00 C ATOM 420 CG ASP A 30 -1.299 -4.481 6.985 1.00 0.00 C ATOM 421 OD1 ASP A 30 -0.778 -5.446 6.386 1.00 0.00 O ATOM 422 OD2 ASP A 30 -2.534 -4.335 7.103 1.00 0.00 O ATOM 0 H ASP A 30 0.882 -2.758 9.633 1.00 0.00 H new ATOM 0 HA ASP A 30 0.890 -5.045 8.226 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.852 -3.041 8.503 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.276 -2.603 6.907 1.00 0.00 H new ATOM 427 N LYS A 31 2.087 -5.036 6.047 1.00 0.00 N ATOM 428 CA LYS A 31 2.939 -5.088 4.864 1.00 0.00 C ATOM 429 C LYS A 31 2.170 -4.656 3.620 1.00 0.00 C ATOM 430 O LYS A 31 1.209 -5.311 3.214 1.00 0.00 O ATOM 431 CB LYS A 31 3.491 -6.502 4.671 1.00 0.00 C ATOM 432 CG LYS A 31 4.204 -7.050 5.895 1.00 0.00 C ATOM 433 CD LYS A 31 5.658 -6.611 5.937 1.00 0.00 C ATOM 434 CE LYS A 31 6.337 -7.055 7.224 1.00 0.00 C ATOM 435 NZ LYS A 31 7.672 -6.418 7.394 1.00 0.00 N ATOM 0 H LYS A 31 1.653 -5.926 6.293 1.00 0.00 H new ATOM 0 HA LYS A 31 3.769 -4.398 5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.671 -7.170 4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.182 -6.501 3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.694 -6.710 6.797 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.152 -8.139 5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.190 -7.027 5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.714 -5.526 5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.703 -6.803 8.075 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.450 -8.139 7.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.922 -6.401 8.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.386 -6.963 6.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.641 -5.445 7.028 1.00 0.00 H new ATOM 449 N LEU A 32 2.599 -3.553 3.018 1.00 0.00 N ATOM 450 CA LEU A 32 1.951 -3.034 1.818 1.00 0.00 C ATOM 451 C LEU A 32 2.959 -2.861 0.687 1.00 0.00 C ATOM 452 O LEU A 32 4.018 -2.262 0.874 1.00 0.00 O ATOM 453 CB LEU A 32 1.270 -1.698 2.119 1.00 0.00 C ATOM 454 CG LEU A 32 0.291 -1.693 3.294 1.00 0.00 C ATOM 455 CD1 LEU A 32 0.152 -0.291 3.867 1.00 0.00 C ATOM 456 CD2 LEU A 32 -1.065 -2.231 2.860 1.00 0.00 C ATOM 0 H LEU A 32 3.393 -3.000 3.341 1.00 0.00 H new ATOM 0 HA LEU A 32 1.197 -3.755 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.043 -0.955 2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.735 -1.376 1.225 1.00 0.00 H new ATOM 0 HG LEU A 32 0.685 -2.344 4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.548 -0.307 4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.124 0.058 4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.219 0.383 3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.749 -2.220 3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.466 -1.606 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.952 -3.253 2.498 1.00 0.00 H new ATOM 468 N GLN A 33 2.621 -3.387 -0.486 1.00 0.00 N ATOM 469 CA GLN A 33 3.497 -3.289 -1.648 1.00 0.00 C ATOM 470 C GLN A 33 3.076 -2.134 -2.550 1.00 0.00 C ATOM 471 O GLN A 33 1.957 -2.109 -3.064 1.00 0.00 O ATOM 472 CB GLN A 33 3.482 -4.599 -2.436 1.00 0.00 C ATOM 473 CG GLN A 33 4.542 -4.667 -3.524 1.00 0.00 C ATOM 474 CD GLN A 33 4.179 -5.634 -4.633 1.00 0.00 C ATOM 475 OE1 GLN A 33 4.242 -5.294 -5.815 1.00 0.00 O ATOM 476 NE2 GLN A 33 3.796 -6.849 -4.258 1.00 0.00 N ATOM 0 H GLN A 33 1.747 -3.885 -0.657 1.00 0.00 H new ATOM 0 HA GLN A 33 4.510 -3.099 -1.293 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.628 -5.430 -1.746 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.499 -4.730 -2.889 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.687 -3.673 -3.947 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.492 -4.967 -3.082 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.758 -7.089 -3.267 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.540 -7.543 -4.961 1.00 0.00 H new ATOM 485 N VAL A 34 3.979 -1.177 -2.739 1.00 0.00 N ATOM 486 CA VAL A 34 3.702 -0.019 -3.580 1.00 0.00 C ATOM 487 C VAL A 34 3.785 -0.381 -5.059 1.00 0.00 C ATOM 488 O VAL A 34 4.812 -0.868 -5.533 1.00 0.00 O ATOM 489 CB VAL A 34 4.681 1.134 -3.290 1.00 0.00 C ATOM 490 CG1 VAL A 34 4.430 2.299 -4.234 1.00 0.00 C ATOM 491 CG2 VAL A 34 4.565 1.578 -1.839 1.00 0.00 C ATOM 0 H VAL A 34 4.909 -1.181 -2.321 1.00 0.00 H new ATOM 0 HA VAL A 34 2.689 0.307 -3.344 1.00 0.00 H new ATOM 0 HB VAL A 34 5.697 0.776 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.131 3.104 -4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.568 1.969 -5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.410 2.661 -4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.264 2.393 -1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.548 1.919 -1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.800 0.740 -1.182 1.00 0.00 H new ATOM 501 N LEU A 35 2.698 -0.140 -5.784 1.00 0.00 N ATOM 502 CA LEU A 35 2.648 -0.441 -7.210 1.00 0.00 C ATOM 503 C LEU A 35 2.811 0.829 -8.040 1.00 0.00 C ATOM 504 O LEU A 35 3.719 0.930 -8.865 1.00 0.00 O ATOM 505 CB LEU A 35 1.326 -1.126 -7.561 1.00 0.00 C ATOM 506 CG LEU A 35 0.750 -2.059 -6.495 1.00 0.00 C ATOM 507 CD1 LEU A 35 -0.762 -2.153 -6.627 1.00 0.00 C ATOM 508 CD2 LEU A 35 1.382 -3.440 -6.597 1.00 0.00 C ATOM 0 H LEU A 35 1.840 0.263 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 35 3.472 -1.115 -7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.587 -0.355 -7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.469 -1.698 -8.478 1.00 0.00 H new ATOM 0 HG LEU A 35 0.983 -1.645 -5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.153 -2.821 -5.860 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.200 -1.163 -6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.018 -2.543 -7.612 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.960 -4.091 -5.831 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.180 -3.861 -7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.459 -3.359 -6.451 1.00 0.00 H new ATOM 520 N ASP A 36 1.928 1.795 -7.814 1.00 0.00 N ATOM 521 CA ASP A 36 1.976 3.060 -8.538 1.00 0.00 C ATOM 522 C ASP A 36 2.518 4.174 -7.650 1.00 0.00 C ATOM 523 O ASP A 36 2.076 4.349 -6.514 1.00 0.00 O ATOM 524 CB ASP A 36 0.583 3.431 -9.051 1.00 0.00 C ATOM 525 CG ASP A 36 0.635 4.244 -10.330 1.00 0.00 C ATOM 526 OD1 ASP A 36 1.151 3.725 -11.342 1.00 0.00 O ATOM 527 OD2 ASP A 36 0.160 5.398 -10.319 1.00 0.00 O ATOM 0 H ASP A 36 1.170 1.726 -7.135 1.00 0.00 H new ATOM 0 HA ASP A 36 2.648 2.939 -9.388 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.009 2.521 -9.225 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.056 3.999 -8.284 1.00 0.00 H new ATOM 532 N THR A 37 3.481 4.927 -8.174 1.00 0.00 N ATOM 533 CA THR A 37 4.086 6.023 -7.428 1.00 0.00 C ATOM 534 C THR A 37 4.071 7.314 -8.239 1.00 0.00 C ATOM 535 O THR A 37 5.000 8.118 -8.162 1.00 0.00 O ATOM 536 CB THR A 37 5.537 5.698 -7.029 1.00 0.00 C ATOM 537 OG1 THR A 37 6.327 5.464 -8.201 1.00 0.00 O ATOM 538 CG2 THR A 37 5.589 4.475 -6.125 1.00 0.00 C ATOM 0 H THR A 37 3.858 4.797 -9.113 1.00 0.00 H new ATOM 0 HA THR A 37 3.490 6.157 -6.525 1.00 0.00 H new ATOM 0 HB THR A 37 5.940 6.551 -6.484 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.249 5.260 -7.939 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.624 4.265 -5.856 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.011 4.666 -5.221 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.169 3.617 -6.649 1.00 0.00 H new ATOM 546 N SER A 38 3.010 7.507 -9.017 1.00 0.00 N ATOM 547 CA SER A 38 2.877 8.700 -9.845 1.00 0.00 C ATOM 548 C SER A 38 2.370 9.879 -9.021 1.00 0.00 C ATOM 549 O SER A 38 3.130 10.789 -8.686 1.00 0.00 O ATOM 550 CB SER A 38 1.924 8.432 -11.012 1.00 0.00 C ATOM 551 OG SER A 38 2.564 7.685 -12.032 1.00 0.00 O ATOM 0 H SER A 38 2.231 6.853 -9.091 1.00 0.00 H new ATOM 0 HA SER A 38 3.862 8.951 -10.239 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.049 7.889 -10.654 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.567 9.378 -11.419 1.00 0.00 H new ATOM 0 HG SER A 38 1.934 7.526 -12.765 1.00 0.00 H new ATOM 557 N HIS A 39 1.081 9.857 -8.696 1.00 0.00 N ATOM 558 CA HIS A 39 0.472 10.924 -7.910 1.00 0.00 C ATOM 559 C HIS A 39 1.220 11.126 -6.596 1.00 0.00 C ATOM 560 O HIS A 39 0.988 10.409 -5.623 1.00 0.00 O ATOM 561 CB HIS A 39 -0.997 10.605 -7.631 1.00 0.00 C ATOM 562 CG HIS A 39 -1.858 11.823 -7.495 1.00 0.00 C ATOM 563 ND1 HIS A 39 -2.929 11.894 -6.629 1.00 0.00 N ATOM 564 CD2 HIS A 39 -1.802 13.022 -8.120 1.00 0.00 C ATOM 565 CE1 HIS A 39 -3.495 13.084 -6.728 1.00 0.00 C ATOM 566 NE2 HIS A 39 -2.829 13.787 -7.626 1.00 0.00 N ATOM 0 H HIS A 39 0.438 9.112 -8.965 1.00 0.00 H new ATOM 0 HA HIS A 39 0.532 11.847 -8.487 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.385 9.984 -8.438 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.065 10.017 -6.715 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.083 13.321 -8.868 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.355 13.424 -6.170 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -3.043 14.744 -7.907 1.00 0.00 H new ATOM 575 N GLU A 40 2.119 12.106 -6.576 1.00 0.00 N ATOM 576 CA GLU A 40 2.901 12.399 -5.382 1.00 0.00 C ATOM 577 C GLU A 40 2.007 12.459 -4.146 1.00 0.00 C ATOM 578 O GLU A 40 0.924 13.040 -4.178 1.00 0.00 O ATOM 579 CB GLU A 40 3.649 13.724 -5.548 1.00 0.00 C ATOM 580 CG GLU A 40 2.738 14.905 -5.838 1.00 0.00 C ATOM 581 CD GLU A 40 3.496 16.214 -5.947 1.00 0.00 C ATOM 582 OE1 GLU A 40 4.500 16.379 -5.224 1.00 0.00 O ATOM 583 OE2 GLU A 40 3.085 17.072 -6.756 1.00 0.00 O ATOM 0 H GLU A 40 2.323 12.709 -7.373 1.00 0.00 H new ATOM 0 HA GLU A 40 3.625 11.595 -5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.216 13.928 -4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.371 13.625 -6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.199 14.723 -6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.992 14.986 -5.047 1.00 0.00 H new ATOM 590 N GLY A 41 2.471 11.851 -3.058 1.00 0.00 N ATOM 591 CA GLY A 41 1.701 11.845 -1.828 1.00 0.00 C ATOM 592 C GLY A 41 0.892 10.575 -1.656 1.00 0.00 C ATOM 593 O GLY A 41 1.083 9.836 -0.690 1.00 0.00 O ATOM 0 H GLY A 41 3.365 11.363 -3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.376 11.960 -0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.030 12.704 -1.819 1.00 0.00 H new ATOM 597 N TRP A 42 -0.015 10.322 -2.593 1.00 0.00 N ATOM 598 CA TRP A 42 -0.857 9.133 -2.539 1.00 0.00 C ATOM 599 C TRP A 42 -0.336 8.053 -3.481 1.00 0.00 C ATOM 600 O TRP A 42 -0.257 8.259 -4.692 1.00 0.00 O ATOM 601 CB TRP A 42 -2.300 9.489 -2.901 1.00 0.00 C ATOM 602 CG TRP A 42 -2.963 10.378 -1.893 1.00 0.00 C ATOM 603 CD1 TRP A 42 -3.017 11.742 -1.913 1.00 0.00 C ATOM 604 CD2 TRP A 42 -3.665 9.964 -0.716 1.00 0.00 C ATOM 605 NE1 TRP A 42 -3.710 12.201 -0.819 1.00 0.00 N ATOM 606 CE2 TRP A 42 -4.119 11.130 -0.069 1.00 0.00 C ATOM 607 CE3 TRP A 42 -3.956 8.721 -0.146 1.00 0.00 C ATOM 608 CZ2 TRP A 42 -4.846 11.088 1.117 1.00 0.00 C ATOM 609 CZ3 TRP A 42 -4.677 8.682 1.033 1.00 0.00 C ATOM 610 CH2 TRP A 42 -5.116 9.859 1.653 1.00 0.00 C ATOM 0 H TRP A 42 -0.186 10.924 -3.399 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.829 8.745 -1.521 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -2.312 9.982 -3.873 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.879 8.571 -3.002 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.579 12.368 -2.676 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.891 13.181 -0.601 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.624 7.808 -0.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -5.185 11.994 1.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.906 7.728 1.484 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.679 9.795 2.573 1.00 0.00 H new ATOM 621 N TRP A 43 0.020 6.904 -2.918 1.00 0.00 N ATOM 622 CA TRP A 43 0.534 5.792 -3.709 1.00 0.00 C ATOM 623 C TRP A 43 -0.480 4.656 -3.774 1.00 0.00 C ATOM 624 O TRP A 43 -1.294 4.484 -2.866 1.00 0.00 O ATOM 625 CB TRP A 43 1.850 5.285 -3.117 1.00 0.00 C ATOM 626 CG TRP A 43 2.976 6.266 -3.243 1.00 0.00 C ATOM 627 CD1 TRP A 43 3.035 7.342 -4.082 1.00 0.00 C ATOM 628 CD2 TRP A 43 4.205 6.260 -2.509 1.00 0.00 C ATOM 629 NE1 TRP A 43 4.226 8.006 -3.913 1.00 0.00 N ATOM 630 CE2 TRP A 43 4.961 7.362 -2.953 1.00 0.00 C ATOM 631 CE3 TRP A 43 4.739 5.433 -1.517 1.00 0.00 C ATOM 632 CZ2 TRP A 43 6.222 7.655 -2.440 1.00 0.00 C ATOM 633 CZ3 TRP A 43 5.990 5.724 -1.009 1.00 0.00 C ATOM 634 CH2 TRP A 43 6.721 6.828 -1.471 1.00 0.00 C ATOM 0 H TRP A 43 -0.038 6.718 -1.917 1.00 0.00 H new ATOM 0 HA TRP A 43 0.714 6.151 -4.722 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.699 5.050 -2.063 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.130 4.356 -3.614 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.259 7.629 -4.776 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.516 8.842 -4.420 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.183 4.581 -1.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.786 8.505 -2.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.412 5.091 -0.243 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.697 7.029 -1.054 1.00 0.00 H new ATOM 645 N LEU A 44 -0.426 3.881 -4.852 1.00 0.00 N ATOM 646 CA LEU A 44 -1.340 2.759 -5.035 1.00 0.00 C ATOM 647 C LEU A 44 -0.678 1.446 -4.632 1.00 0.00 C ATOM 648 O LEU A 44 0.041 0.834 -5.422 1.00 0.00 O ATOM 649 CB LEU A 44 -1.803 2.686 -6.491 1.00 0.00 C ATOM 650 CG LEU A 44 -2.605 1.442 -6.878 1.00 0.00 C ATOM 651 CD1 LEU A 44 -4.037 1.555 -6.381 1.00 0.00 C ATOM 652 CD2 LEU A 44 -2.576 1.238 -8.386 1.00 0.00 C ATOM 0 H LEU A 44 0.241 4.009 -5.613 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.206 2.919 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.410 3.566 -6.703 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.925 2.742 -7.134 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.146 0.574 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.592 0.661 -6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.039 1.653 -5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.508 2.432 -6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.151 0.349 -8.644 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.011 2.107 -8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.545 1.112 -8.716 1.00 0.00 H new ATOM 664 N ALA A 45 -0.927 1.017 -3.399 1.00 0.00 N ATOM 665 CA ALA A 45 -0.359 -0.226 -2.893 1.00 0.00 C ATOM 666 C ALA A 45 -1.448 -1.258 -2.622 1.00 0.00 C ATOM 667 O ALA A 45 -2.635 -0.930 -2.597 1.00 0.00 O ATOM 668 CB ALA A 45 0.448 0.037 -1.630 1.00 0.00 C ATOM 0 H ALA A 45 -1.519 1.512 -2.732 1.00 0.00 H new ATOM 0 HA ALA A 45 0.305 -0.630 -3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.866 -0.901 -1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.257 0.732 -1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.200 0.468 -0.867 1.00 0.00 H new ATOM 674 N ARG A 46 -1.038 -2.506 -2.420 1.00 0.00 N ATOM 675 CA ARG A 46 -1.981 -3.586 -2.152 1.00 0.00 C ATOM 676 C ARG A 46 -1.597 -4.340 -0.883 1.00 0.00 C ATOM 677 O ARG A 46 -0.423 -4.398 -0.513 1.00 0.00 O ATOM 678 CB ARG A 46 -2.032 -4.552 -3.337 1.00 0.00 C ATOM 679 CG ARG A 46 -0.789 -5.417 -3.471 1.00 0.00 C ATOM 680 CD ARG A 46 -0.723 -6.090 -4.833 1.00 0.00 C ATOM 681 NE ARG A 46 -1.580 -7.271 -4.903 1.00 0.00 N ATOM 682 CZ ARG A 46 -1.344 -8.391 -4.229 1.00 0.00 C ATOM 683 NH1 ARG A 46 -0.284 -8.482 -3.438 1.00 0.00 N ATOM 684 NH2 ARG A 46 -2.171 -9.422 -4.344 1.00 0.00 N ATOM 0 H ARG A 46 -0.060 -2.794 -2.437 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.968 -3.146 -2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.904 -5.197 -3.232 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.168 -3.981 -4.255 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.100 -4.804 -3.323 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.786 -6.176 -2.688 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.022 -5.379 -5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.307 -6.376 -5.046 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.405 -7.234 -5.502 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.353 -7.691 -3.346 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.105 -9.343 -2.922 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.989 -9.355 -4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.989 -10.282 -3.826 1.00 0.00 H new ATOM 698 N HIS A 47 -2.593 -4.917 -0.219 1.00 0.00 N ATOM 699 CA HIS A 47 -2.360 -5.668 1.009 1.00 0.00 C ATOM 700 C HIS A 47 -1.510 -6.905 0.737 1.00 0.00 C ATOM 701 O HIS A 47 -1.812 -7.694 -0.160 1.00 0.00 O ATOM 702 CB HIS A 47 -3.690 -6.079 1.642 1.00 0.00 C ATOM 703 CG HIS A 47 -4.238 -5.064 2.597 1.00 0.00 C ATOM 704 ND1 HIS A 47 -3.658 -4.791 3.818 1.00 0.00 N ATOM 705 CD2 HIS A 47 -5.318 -4.253 2.505 1.00 0.00 C ATOM 706 CE1 HIS A 47 -4.359 -3.857 4.437 1.00 0.00 C ATOM 707 NE2 HIS A 47 -5.371 -3.513 3.661 1.00 0.00 N ATOM 0 H HIS A 47 -3.570 -4.879 -0.511 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.820 -5.023 1.702 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.420 -6.254 0.852 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.556 -7.025 2.167 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.009 -4.198 1.677 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.141 -3.445 5.411 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.077 -2.812 3.884 1.00 0.00 H new ATOM 716 N LEU A 48 -0.445 -7.068 1.514 1.00 0.00 N ATOM 717 CA LEU A 48 0.450 -8.209 1.356 1.00 0.00 C ATOM 718 C LEU A 48 0.124 -9.302 2.369 1.00 0.00 C ATOM 719 O LEU A 48 0.125 -10.488 2.039 1.00 0.00 O ATOM 720 CB LEU A 48 1.906 -7.767 1.518 1.00 0.00 C ATOM 721 CG LEU A 48 2.454 -6.851 0.423 1.00 0.00 C ATOM 722 CD1 LEU A 48 3.827 -6.322 0.808 1.00 0.00 C ATOM 723 CD2 LEU A 48 2.518 -7.588 -0.907 1.00 0.00 C ATOM 0 H LEU A 48 -0.180 -6.425 2.260 1.00 0.00 H new ATOM 0 HA LEU A 48 0.308 -8.614 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.005 -7.256 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.532 -8.658 1.566 1.00 0.00 H new ATOM 0 HG LEU A 48 1.778 -6.003 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.201 -5.672 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.752 -5.757 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.513 -7.158 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.910 -6.921 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.172 -8.455 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.518 -7.917 -1.189 1.00 0.00 H new ATOM 735 N GLU A 49 -0.158 -8.894 3.603 1.00 0.00 N ATOM 736 CA GLU A 49 -0.488 -9.839 4.663 1.00 0.00 C ATOM 737 C GLU A 49 -1.585 -10.800 4.213 1.00 0.00 C ATOM 738 O GLU A 49 -1.469 -12.014 4.378 1.00 0.00 O ATOM 739 CB GLU A 49 -0.934 -9.092 5.922 1.00 0.00 C ATOM 740 CG GLU A 49 0.220 -8.538 6.741 1.00 0.00 C ATOM 741 CD GLU A 49 0.927 -9.607 7.551 1.00 0.00 C ATOM 742 OE1 GLU A 49 1.534 -10.511 6.937 1.00 0.00 O ATOM 743 OE2 GLU A 49 0.874 -9.541 8.796 1.00 0.00 O ATOM 0 H GLU A 49 -0.164 -7.916 3.893 1.00 0.00 H new ATOM 0 HA GLU A 49 0.407 -10.418 4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.591 -8.271 5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.521 -9.766 6.546 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.937 -8.059 6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.154 -7.766 7.413 1.00 0.00 H new ATOM 750 N LYS A 50 -2.651 -10.247 3.645 1.00 0.00 N ATOM 751 CA LYS A 50 -3.770 -11.052 3.170 1.00 0.00 C ATOM 752 C LYS A 50 -3.357 -11.907 1.976 1.00 0.00 C ATOM 753 O LYS A 50 -2.827 -11.398 0.988 1.00 0.00 O ATOM 754 CB LYS A 50 -4.946 -10.151 2.783 1.00 0.00 C ATOM 755 CG LYS A 50 -6.253 -10.903 2.600 1.00 0.00 C ATOM 756 CD LYS A 50 -6.907 -11.217 3.935 1.00 0.00 C ATOM 757 CE LYS A 50 -8.407 -11.422 3.787 1.00 0.00 C ATOM 758 NZ LYS A 50 -8.724 -12.644 2.997 1.00 0.00 N ATOM 0 H LYS A 50 -2.764 -9.243 3.502 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.078 -11.714 3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.079 -9.390 3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.704 -9.629 1.857 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.934 -10.308 1.991 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.068 -11.830 2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.456 -12.114 4.360 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.717 -10.403 4.635 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.862 -11.500 4.774 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.846 -10.551 3.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.756 -12.749 2.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.311 -12.559 2.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.327 -13.478 3.474 1.00 0.00 H new ATOM 772 N LYS A 51 -3.605 -13.209 2.072 1.00 0.00 N ATOM 773 CA LYS A 51 -3.262 -14.135 1.000 1.00 0.00 C ATOM 774 C LYS A 51 -4.426 -15.074 0.699 1.00 0.00 C ATOM 775 O LYS A 51 -4.703 -15.998 1.462 1.00 0.00 O ATOM 776 CB LYS A 51 -2.021 -14.947 1.377 1.00 0.00 C ATOM 777 CG LYS A 51 -0.720 -14.182 1.211 1.00 0.00 C ATOM 778 CD LYS A 51 -0.388 -13.957 -0.255 1.00 0.00 C ATOM 779 CE LYS A 51 1.084 -13.628 -0.449 1.00 0.00 C ATOM 780 NZ LYS A 51 1.926 -14.856 -0.493 1.00 0.00 N ATOM 0 H LYS A 51 -4.043 -13.647 2.883 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.048 -13.552 0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.111 -15.273 2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.985 -15.846 0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.795 -13.221 1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.090 -14.733 1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.641 -14.849 -0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.998 -13.143 -0.647 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.212 -13.067 -1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.422 -12.985 0.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.922 -14.589 -0.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.824 -15.379 0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.620 -15.458 -1.284 1.00 0.00 H new ATOM 794 N GLY A 52 -5.103 -14.831 -0.419 1.00 0.00 N ATOM 795 CA GLY A 52 -6.227 -15.665 -0.801 1.00 0.00 C ATOM 796 C GLY A 52 -7.275 -14.901 -1.586 1.00 0.00 C ATOM 797 O GLY A 52 -7.139 -13.698 -1.812 1.00 0.00 O ATOM 0 H GLY A 52 -4.893 -14.072 -1.067 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.868 -16.502 -1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.684 -16.086 0.094 1.00 0.00 H new ATOM 801 N THR A 53 -8.325 -15.601 -2.005 1.00 0.00 N ATOM 802 CA THR A 53 -9.399 -14.982 -2.772 1.00 0.00 C ATOM 803 C THR A 53 -10.632 -14.752 -1.905 1.00 0.00 C ATOM 804 O THR A 53 -11.026 -15.620 -1.126 1.00 0.00 O ATOM 805 CB THR A 53 -9.793 -15.845 -3.985 1.00 0.00 C ATOM 806 OG1 THR A 53 -8.657 -16.045 -4.833 1.00 0.00 O ATOM 807 CG2 THR A 53 -10.913 -15.187 -4.777 1.00 0.00 C ATOM 0 H THR A 53 -8.454 -16.597 -1.826 1.00 0.00 H new ATOM 0 HA THR A 53 -9.022 -14.022 -3.125 1.00 0.00 H new ATOM 0 HB THR A 53 -10.147 -16.808 -3.618 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.915 -16.596 -5.601 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.174 -15.815 -5.629 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.786 -15.062 -4.137 1.00 0.00 H new ATOM 0 HG23 THR A 53 -10.582 -14.212 -5.133 1.00 0.00 H new ATOM 815 N GLY A 54 -11.238 -13.577 -2.045 1.00 0.00 N ATOM 816 CA GLY A 54 -12.421 -13.255 -1.268 1.00 0.00 C ATOM 817 C GLY A 54 -13.175 -12.065 -1.826 1.00 0.00 C ATOM 818 O GLY A 54 -12.747 -11.453 -2.806 1.00 0.00 O ATOM 0 H GLY A 54 -10.931 -12.842 -2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.082 -14.121 -1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.130 -13.047 -0.238 1.00 0.00 H new ATOM 822 N LEU A 55 -14.301 -11.735 -1.203 1.00 0.00 N ATOM 823 CA LEU A 55 -15.118 -10.610 -1.645 1.00 0.00 C ATOM 824 C LEU A 55 -15.331 -9.613 -0.510 1.00 0.00 C ATOM 825 O LEU A 55 -15.223 -9.962 0.665 1.00 0.00 O ATOM 826 CB LEU A 55 -16.469 -11.107 -2.161 1.00 0.00 C ATOM 827 CG LEU A 55 -16.427 -11.992 -3.408 1.00 0.00 C ATOM 828 CD1 LEU A 55 -16.034 -13.414 -3.040 1.00 0.00 C ATOM 829 CD2 LEU A 55 -17.772 -11.976 -4.119 1.00 0.00 C ATOM 0 H LEU A 55 -14.669 -12.230 -0.391 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.590 -10.105 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.958 -11.663 -1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -17.094 -10.241 -2.376 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.674 -11.593 -4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -16.009 -14.029 -3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.048 -13.410 -2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -16.763 -13.823 -2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.723 -12.611 -5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -18.544 -12.350 -3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -18.014 -10.956 -4.417 1.00 0.00 H new ATOM 841 N GLY A 56 -15.635 -8.370 -0.871 1.00 0.00 N ATOM 842 CA GLY A 56 -15.860 -7.342 0.128 1.00 0.00 C ATOM 843 C GLY A 56 -14.922 -6.161 -0.033 1.00 0.00 C ATOM 844 O GLY A 56 -14.722 -5.668 -1.142 1.00 0.00 O ATOM 0 H GLY A 56 -15.729 -8.057 -1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -16.891 -6.995 0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.732 -7.771 1.122 1.00 0.00 H new ATOM 848 N GLN A 57 -14.348 -5.708 1.077 1.00 0.00 N ATOM 849 CA GLN A 57 -13.429 -4.576 1.053 1.00 0.00 C ATOM 850 C GLN A 57 -12.294 -4.818 0.064 1.00 0.00 C ATOM 851 O GLN A 57 -11.805 -5.940 -0.072 1.00 0.00 O ATOM 852 CB GLN A 57 -12.859 -4.326 2.450 1.00 0.00 C ATOM 853 CG GLN A 57 -13.893 -3.831 3.449 1.00 0.00 C ATOM 854 CD GLN A 57 -14.611 -2.582 2.975 1.00 0.00 C ATOM 855 OE1 GLN A 57 -15.663 -2.661 2.340 1.00 0.00 O ATOM 856 NE2 GLN A 57 -14.045 -1.421 3.282 1.00 0.00 N ATOM 0 H GLN A 57 -14.503 -6.107 2.003 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.985 -3.695 0.732 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.418 -5.250 2.824 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.054 -3.594 2.380 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -14.624 -4.619 3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -13.404 -3.625 4.401 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.173 -1.403 3.810 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.483 -0.547 2.990 1.00 0.00 H new ATOM 865 N GLN A 58 -11.880 -3.759 -0.625 1.00 0.00 N ATOM 866 CA GLN A 58 -10.802 -3.858 -1.602 1.00 0.00 C ATOM 867 C GLN A 58 -9.517 -4.354 -0.948 1.00 0.00 C ATOM 868 O GLN A 58 -9.449 -4.510 0.272 1.00 0.00 O ATOM 869 CB GLN A 58 -10.560 -2.501 -2.265 1.00 0.00 C ATOM 870 CG GLN A 58 -9.946 -2.601 -3.652 1.00 0.00 C ATOM 871 CD GLN A 58 -10.345 -1.449 -4.552 1.00 0.00 C ATOM 872 OE1 GLN A 58 -10.835 -1.654 -5.663 1.00 0.00 O ATOM 873 NE2 GLN A 58 -10.137 -0.226 -4.076 1.00 0.00 N ATOM 0 H GLN A 58 -12.274 -2.824 -0.525 1.00 0.00 H new ATOM 0 HA GLN A 58 -11.101 -4.578 -2.363 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.507 -1.966 -2.334 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.904 -1.907 -1.629 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.860 -2.628 -3.563 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.252 -3.540 -4.113 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.728 -0.102 -3.150 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -10.386 0.589 -4.637 1.00 0.00 H new ATOM 882 N LEU A 59 -8.500 -4.601 -1.766 1.00 0.00 N ATOM 883 CA LEU A 59 -7.216 -5.080 -1.266 1.00 0.00 C ATOM 884 C LEU A 59 -6.109 -4.071 -1.554 1.00 0.00 C ATOM 885 O LEU A 59 -5.095 -4.033 -0.858 1.00 0.00 O ATOM 886 CB LEU A 59 -6.870 -6.428 -1.902 1.00 0.00 C ATOM 887 CG LEU A 59 -7.107 -6.541 -3.408 1.00 0.00 C ATOM 888 CD1 LEU A 59 -6.175 -7.575 -4.019 1.00 0.00 C ATOM 889 CD2 LEU A 59 -8.559 -6.893 -3.695 1.00 0.00 C ATOM 0 H LEU A 59 -8.539 -4.478 -2.778 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.298 -5.204 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.820 -6.642 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.453 -7.202 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.892 -5.574 -3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.358 -7.641 -5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.140 -7.280 -3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.357 -8.546 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.709 -6.969 -4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.802 -7.847 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.208 -6.116 -3.292 1.00 0.00 H new ATOM 901 N GLN A 60 -6.313 -3.254 -2.582 1.00 0.00 N ATOM 902 CA GLN A 60 -5.332 -2.243 -2.960 1.00 0.00 C ATOM 903 C GLN A 60 -6.012 -0.913 -3.269 1.00 0.00 C ATOM 904 O GLN A 60 -7.132 -0.881 -3.777 1.00 0.00 O ATOM 905 CB GLN A 60 -4.527 -2.711 -4.173 1.00 0.00 C ATOM 906 CG GLN A 60 -5.312 -2.677 -5.475 1.00 0.00 C ATOM 907 CD GLN A 60 -4.671 -3.513 -6.565 1.00 0.00 C ATOM 908 OE1 GLN A 60 -4.305 -4.668 -6.344 1.00 0.00 O ATOM 909 NE2 GLN A 60 -4.532 -2.932 -7.751 1.00 0.00 N ATOM 0 H GLN A 60 -7.148 -3.272 -3.168 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.655 -2.098 -2.118 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.642 -2.083 -4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.177 -3.728 -3.996 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.325 -3.038 -5.294 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.397 -1.645 -5.816 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.850 -1.973 -7.889 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.108 -3.445 -8.524 1.00 0.00 H new ATOM 918 N GLY A 61 -5.327 0.183 -2.958 1.00 0.00 N ATOM 919 CA GLY A 61 -5.881 1.501 -3.209 1.00 0.00 C ATOM 920 C GLY A 61 -4.881 2.610 -2.948 1.00 0.00 C ATOM 921 O GLY A 61 -3.682 2.358 -2.830 1.00 0.00 O ATOM 0 H GLY A 61 -4.398 0.182 -2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.220 1.558 -4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.757 1.650 -2.577 1.00 0.00 H new ATOM 925 N TYR A 62 -5.375 3.840 -2.859 1.00 0.00 N ATOM 926 CA TYR A 62 -4.515 4.992 -2.614 1.00 0.00 C ATOM 927 C TYR A 62 -4.209 5.137 -1.127 1.00 0.00 C ATOM 928 O TYR A 62 -5.116 5.146 -0.293 1.00 0.00 O ATOM 929 CB TYR A 62 -5.177 6.268 -3.137 1.00 0.00 C ATOM 930 CG TYR A 62 -5.322 6.302 -4.642 1.00 0.00 C ATOM 931 CD1 TYR A 62 -4.207 6.253 -5.469 1.00 0.00 C ATOM 932 CD2 TYR A 62 -6.576 6.382 -5.237 1.00 0.00 C ATOM 933 CE1 TYR A 62 -4.335 6.284 -6.844 1.00 0.00 C ATOM 934 CE2 TYR A 62 -6.713 6.413 -6.611 1.00 0.00 C ATOM 935 CZ TYR A 62 -5.590 6.364 -7.410 1.00 0.00 C ATOM 936 OH TYR A 62 -5.722 6.394 -8.780 1.00 0.00 O ATOM 0 H TYR A 62 -6.365 4.065 -2.953 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.577 4.833 -3.145 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -6.163 6.368 -2.683 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -4.590 7.129 -2.817 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.223 6.190 -5.029 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.458 6.421 -4.614 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.457 6.246 -7.472 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.694 6.475 -7.057 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.671 6.450 -9.016 1.00 0.00 H new ATOM 946 N ILE A 63 -2.926 5.252 -0.802 1.00 0.00 N ATOM 947 CA ILE A 63 -2.500 5.399 0.584 1.00 0.00 C ATOM 948 C ILE A 63 -1.379 6.426 0.708 1.00 0.00 C ATOM 949 O ILE A 63 -0.565 6.606 -0.198 1.00 0.00 O ATOM 950 CB ILE A 63 -2.019 4.058 1.170 1.00 0.00 C ATOM 951 CG1 ILE A 63 -0.772 3.570 0.430 1.00 0.00 C ATOM 952 CG2 ILE A 63 -3.128 3.019 1.093 1.00 0.00 C ATOM 953 CD1 ILE A 63 -0.033 2.467 1.154 1.00 0.00 C ATOM 0 H ILE A 63 -2.164 5.246 -1.480 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.368 5.742 1.147 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.760 4.208 2.218 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.062 3.214 -0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.096 4.412 0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.773 2.077 1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.991 3.366 1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.415 2.869 0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.840 2.171 0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.288 2.825 2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.693 1.609 1.281 1.00 0.00 H new ATOM 965 N PRO A 64 -1.333 7.115 1.858 1.00 0.00 N ATOM 966 CA PRO A 64 -0.316 8.134 2.130 1.00 0.00 C ATOM 967 C PRO A 64 1.072 7.531 2.322 1.00 0.00 C ATOM 968 O PRO A 64 1.241 6.564 3.064 1.00 0.00 O ATOM 969 CB PRO A 64 -0.801 8.783 3.429 1.00 0.00 C ATOM 970 CG PRO A 64 -1.625 7.734 4.092 1.00 0.00 C ATOM 971 CD PRO A 64 -2.272 6.952 2.981 1.00 0.00 C ATOM 0 HA PRO A 64 -0.210 8.834 1.302 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.037 9.084 4.058 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.388 9.679 3.229 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.007 7.088 4.715 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.376 8.181 4.743 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.400 5.903 3.249 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.261 7.342 2.738 1.00 0.00 H new ATOM 979 N SER A 65 2.062 8.110 1.650 1.00 0.00 N ATOM 980 CA SER A 65 3.434 7.627 1.745 1.00 0.00 C ATOM 981 C SER A 65 4.041 7.978 3.100 1.00 0.00 C ATOM 982 O SER A 65 4.748 7.172 3.703 1.00 0.00 O ATOM 983 CB SER A 65 4.286 8.224 0.623 1.00 0.00 C ATOM 984 OG SER A 65 5.633 7.793 0.720 1.00 0.00 O ATOM 0 H SER A 65 1.939 8.914 1.034 1.00 0.00 H new ATOM 0 HA SER A 65 3.419 6.542 1.643 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.876 7.932 -0.344 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.245 9.312 0.671 1.00 0.00 H new ATOM 0 HG SER A 65 5.848 7.216 -0.043 1.00 0.00 H new ATOM 990 N ASN A 66 3.759 9.188 3.572 1.00 0.00 N ATOM 991 CA ASN A 66 4.278 9.647 4.856 1.00 0.00 C ATOM 992 C ASN A 66 3.887 8.687 5.975 1.00 0.00 C ATOM 993 O ASN A 66 4.449 8.731 7.070 1.00 0.00 O ATOM 994 CB ASN A 66 3.755 11.051 5.168 1.00 0.00 C ATOM 995 CG ASN A 66 4.271 12.090 4.191 1.00 0.00 C ATOM 996 OD1 ASN A 66 5.470 12.160 3.918 1.00 0.00 O ATOM 997 ND2 ASN A 66 3.366 12.904 3.661 1.00 0.00 N ATOM 0 H ASN A 66 3.175 9.868 3.085 1.00 0.00 H new ATOM 0 HA ASN A 66 5.366 9.677 4.791 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.665 11.043 5.144 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.050 11.329 6.180 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.654 13.624 2.998 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.383 12.809 3.916 1.00 0.00 H new ATOM 1004 N TYR A 67 2.921 7.819 5.693 1.00 0.00 N ATOM 1005 CA TYR A 67 2.454 6.849 6.676 1.00 0.00 C ATOM 1006 C TYR A 67 3.295 5.577 6.628 1.00 0.00 C ATOM 1007 O TYR A 67 3.426 4.868 7.626 1.00 0.00 O ATOM 1008 CB TYR A 67 0.983 6.510 6.429 1.00 0.00 C ATOM 1009 CG TYR A 67 0.021 7.489 7.066 1.00 0.00 C ATOM 1010 CD1 TYR A 67 0.038 8.834 6.720 1.00 0.00 C ATOM 1011 CD2 TYR A 67 -0.903 7.068 8.014 1.00 0.00 C ATOM 1012 CE1 TYR A 67 -0.838 9.732 7.299 1.00 0.00 C ATOM 1013 CE2 TYR A 67 -1.784 7.958 8.597 1.00 0.00 C ATOM 1014 CZ TYR A 67 -1.747 9.289 8.236 1.00 0.00 C ATOM 1015 OH TYR A 67 -2.622 10.179 8.816 1.00 0.00 O ATOM 0 H TYR A 67 2.446 7.768 4.792 1.00 0.00 H new ATOM 0 HA TYR A 67 2.557 7.294 7.666 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.801 6.481 5.355 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.779 5.511 6.814 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.748 9.184 5.986 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.933 6.027 8.300 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.811 10.775 7.019 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.498 7.614 9.331 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.196 9.705 9.454 1.00 0.00 H new ATOM 1025 N VAL A 68 3.864 5.295 5.461 1.00 0.00 N ATOM 1026 CA VAL A 68 4.695 4.110 5.282 1.00 0.00 C ATOM 1027 C VAL A 68 6.145 4.492 5.008 1.00 0.00 C ATOM 1028 O VAL A 68 6.475 5.672 4.888 1.00 0.00 O ATOM 1029 CB VAL A 68 4.179 3.233 4.126 1.00 0.00 C ATOM 1030 CG1 VAL A 68 2.775 2.730 4.422 1.00 0.00 C ATOM 1031 CG2 VAL A 68 4.212 4.006 2.816 1.00 0.00 C ATOM 0 H VAL A 68 3.765 5.871 4.625 1.00 0.00 H new ATOM 0 HA VAL A 68 4.642 3.542 6.211 1.00 0.00 H new ATOM 0 HB VAL A 68 4.835 2.368 4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.428 2.112 3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.786 2.138 5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.103 3.579 4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.844 3.371 2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.580 4.890 2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.236 4.311 2.599 1.00 0.00 H new ATOM 1041 N ALA A 69 7.008 3.486 4.909 1.00 0.00 N ATOM 1042 CA ALA A 69 8.423 3.716 4.646 1.00 0.00 C ATOM 1043 C ALA A 69 9.055 2.514 3.952 1.00 0.00 C ATOM 1044 O ALA A 69 8.370 1.546 3.621 1.00 0.00 O ATOM 1045 CB ALA A 69 9.157 4.026 5.942 1.00 0.00 C ATOM 0 H ALA A 69 6.752 2.504 5.007 1.00 0.00 H new ATOM 0 HA ALA A 69 8.508 4.574 3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.213 4.196 5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.730 4.920 6.397 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.055 3.185 6.628 1.00 0.00 H new ATOM 1051 N GLU A 70 10.364 2.583 3.735 1.00 0.00 N ATOM 1052 CA GLU A 70 11.087 1.499 3.079 1.00 0.00 C ATOM 1053 C GLU A 70 11.340 0.348 4.048 1.00 0.00 C ATOM 1054 O GLU A 70 12.098 0.486 5.008 1.00 0.00 O ATOM 1055 CB GLU A 70 12.416 2.010 2.518 1.00 0.00 C ATOM 1056 CG GLU A 70 12.997 1.124 1.428 1.00 0.00 C ATOM 1057 CD GLU A 70 14.275 1.688 0.838 1.00 0.00 C ATOM 1058 OE1 GLU A 70 15.347 1.494 1.449 1.00 0.00 O ATOM 1059 OE2 GLU A 70 14.203 2.322 -0.235 1.00 0.00 O ATOM 0 H GLU A 70 10.946 3.377 4.003 1.00 0.00 H new ATOM 0 HA GLU A 70 10.472 1.130 2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.271 3.014 2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.137 2.091 3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.196 0.134 1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.260 0.999 0.635 1.00 0.00 H new ATOM 1066 N ASP A 71 10.699 -0.786 3.790 1.00 0.00 N ATOM 1067 CA ASP A 71 10.854 -1.962 4.639 1.00 0.00 C ATOM 1068 C ASP A 71 11.949 -2.879 4.103 1.00 0.00 C ATOM 1069 O ASP A 71 11.967 -3.213 2.918 1.00 0.00 O ATOM 1070 CB ASP A 71 9.532 -2.726 4.734 1.00 0.00 C ATOM 1071 CG ASP A 71 9.397 -3.488 6.038 1.00 0.00 C ATOM 1072 OD1 ASP A 71 10.402 -3.593 6.771 1.00 0.00 O ATOM 1073 OD2 ASP A 71 8.285 -3.978 6.325 1.00 0.00 O ATOM 0 H ASP A 71 10.067 -0.916 3.000 1.00 0.00 H new ATOM 0 HA ASP A 71 11.143 -1.626 5.635 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.703 -2.025 4.638 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.458 -3.423 3.900 1.00 0.00 H new ATOM 1078 N SER A 72 12.861 -3.281 4.982 1.00 0.00 N ATOM 1079 CA SER A 72 13.962 -4.155 4.596 1.00 0.00 C ATOM 1080 C SER A 72 13.440 -5.421 3.924 1.00 0.00 C ATOM 1081 O SER A 72 12.958 -6.337 4.589 1.00 0.00 O ATOM 1082 CB SER A 72 14.802 -4.522 5.820 1.00 0.00 C ATOM 1083 OG SER A 72 16.116 -4.898 5.443 1.00 0.00 O ATOM 0 H SER A 72 12.859 -3.015 5.967 1.00 0.00 H new ATOM 0 HA SER A 72 14.588 -3.618 3.883 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.845 -3.674 6.503 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.326 -5.341 6.359 1.00 0.00 H new ATOM 0 HG SER A 72 16.633 -5.126 6.243 1.00 0.00 H new ATOM 1089 N GLY A 73 13.542 -5.465 2.599 1.00 0.00 N ATOM 1090 CA GLY A 73 13.076 -6.623 1.858 1.00 0.00 C ATOM 1091 C GLY A 73 14.205 -7.357 1.161 1.00 0.00 C ATOM 1092 O GLY A 73 14.866 -8.218 1.742 1.00 0.00 O ATOM 0 H GLY A 73 13.939 -4.720 2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 73 12.568 -7.306 2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.341 -6.306 1.118 1.00 0.00 H new ATOM 1096 N PRO A 74 14.438 -7.019 -0.116 1.00 0.00 N ATOM 1097 CA PRO A 74 15.493 -7.641 -0.920 1.00 0.00 C ATOM 1098 C PRO A 74 16.889 -7.239 -0.456 1.00 0.00 C ATOM 1099 O PRO A 74 17.048 -6.294 0.317 1.00 0.00 O ATOM 1100 CB PRO A 74 15.224 -7.110 -2.330 1.00 0.00 C ATOM 1101 CG PRO A 74 14.509 -5.820 -2.119 1.00 0.00 C ATOM 1102 CD PRO A 74 13.689 -6.001 -0.872 1.00 0.00 C ATOM 0 HA PRO A 74 15.473 -8.728 -0.848 1.00 0.00 H new ATOM 0 HB2 PRO A 74 16.153 -6.962 -2.881 1.00 0.00 H new ATOM 0 HB3 PRO A 74 14.618 -7.809 -2.907 1.00 0.00 H new ATOM 0 HG2 PRO A 74 15.214 -4.997 -2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.874 -5.581 -2.972 1.00 0.00 H new ATOM 0 HD2 PRO A 74 13.599 -5.070 -0.312 1.00 0.00 H new ATOM 0 HD3 PRO A 74 12.677 -6.335 -1.101 1.00 0.00 H new ATOM 1110 N SER A 75 17.897 -7.960 -0.934 1.00 0.00 N ATOM 1111 CA SER A 75 19.280 -7.680 -0.566 1.00 0.00 C ATOM 1112 C SER A 75 20.238 -8.137 -1.662 1.00 0.00 C ATOM 1113 O SER A 75 19.905 -9.003 -2.471 1.00 0.00 O ATOM 1114 CB SER A 75 19.629 -8.373 0.753 1.00 0.00 C ATOM 1115 OG SER A 75 19.038 -7.703 1.853 1.00 0.00 O ATOM 0 H SER A 75 17.782 -8.743 -1.577 1.00 0.00 H new ATOM 0 HA SER A 75 19.385 -6.602 -0.442 1.00 0.00 H new ATOM 0 HB2 SER A 75 19.286 -9.407 0.726 1.00 0.00 H new ATOM 0 HB3 SER A 75 20.711 -8.400 0.878 1.00 0.00 H new ATOM 0 HG SER A 75 18.390 -7.045 1.525 1.00 0.00 H new ATOM 1121 N SER A 76 21.430 -7.548 -1.681 1.00 0.00 N ATOM 1122 CA SER A 76 22.435 -7.891 -2.680 1.00 0.00 C ATOM 1123 C SER A 76 23.693 -8.444 -2.016 1.00 0.00 C ATOM 1124 O SER A 76 24.254 -7.827 -1.112 1.00 0.00 O ATOM 1125 CB SER A 76 22.787 -6.664 -3.522 1.00 0.00 C ATOM 1126 OG SER A 76 23.558 -7.026 -4.655 1.00 0.00 O ATOM 0 H SER A 76 21.723 -6.832 -1.016 1.00 0.00 H new ATOM 0 HA SER A 76 22.019 -8.661 -3.330 1.00 0.00 H new ATOM 0 HB2 SER A 76 21.873 -6.166 -3.845 1.00 0.00 H new ATOM 0 HB3 SER A 76 23.342 -5.949 -2.914 1.00 0.00 H new ATOM 0 HG SER A 76 23.768 -6.224 -5.177 1.00 0.00 H new ATOM 1132 N GLY A 77 24.131 -9.614 -2.473 1.00 0.00 N ATOM 1133 CA GLY A 77 25.318 -10.231 -1.914 1.00 0.00 C ATOM 1134 C GLY A 77 25.519 -11.651 -2.405 1.00 0.00 C ATOM 1135 O GLY A 77 26.566 -11.980 -2.962 1.00 0.00 O ATOM 0 H GLY A 77 23.684 -10.145 -3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 77 26.191 -9.633 -2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.245 -10.233 -0.826 1.00 0.00 H new TER 1139 GLY A 77