USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 486 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 47 SER OG : rot 180:sc= -0.256 USER MOD Set 1.2: A 52 GLN : amide:sc= -1.04 K(o=-1.3,f=-2.8) USER MOD Set 2.1: A 39 ASN : amide:sc= -0.228 K(o=-0.42,f=-2.9!) USER MOD Set 2.2: A 41 SER OG : rot 170:sc= -0.196 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 28:sc= 0.325 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 5:sc= 0.0115 USER MOD Single : A 15 SER OG : rot -134:sc= 0.792 USER MOD Single : A 16 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.093) USER MOD Single : A 17 TYR OH : rot 126:sc= 0.665 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.192 K(o=-0.19,f=-3.1!) USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 23 SER OG : rot 55:sc= 0.818 USER MOD Single : A 26 SER OG : rot 36:sc= 0.516 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -46:sc= 0.728 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.606 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.15) USER MOD Single : A 64 ASN : amide:sc= -0.0434 X(o=-0.043,f=-0.015) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.929 -9.861 -25.094 1.00 0.00 N ATOM 2 CA GLY A 1 13.424 -11.054 -24.434 1.00 0.00 C ATOM 3 C GLY A 1 12.601 -11.427 -23.217 1.00 0.00 C ATOM 4 O GLY A 1 12.738 -10.817 -22.156 1.00 0.00 O ATOM 0 H1 GLY A 1 13.525 -9.648 -25.919 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.949 -10.018 -25.406 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.957 -9.060 -24.431 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.420 -11.884 -25.140 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.460 -10.896 -24.134 1.00 0.00 H new ATOM 8 N SER A 2 11.743 -12.431 -23.369 1.00 0.00 N ATOM 9 CA SER A 2 10.891 -12.880 -22.274 1.00 0.00 C ATOM 10 C SER A 2 10.840 -14.404 -22.215 1.00 0.00 C ATOM 11 O SER A 2 10.428 -15.059 -23.172 1.00 0.00 O ATOM 12 CB SER A 2 9.478 -12.317 -22.436 1.00 0.00 C ATOM 13 OG SER A 2 8.928 -12.672 -23.693 1.00 0.00 O ATOM 0 H SER A 2 11.620 -12.949 -24.239 1.00 0.00 H new ATOM 0 HA SER A 2 11.317 -12.512 -21.340 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.839 -12.693 -21.637 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.503 -11.232 -22.340 1.00 0.00 H new ATOM 0 HG SER A 2 9.321 -13.517 -23.995 1.00 0.00 H new ATOM 19 N SER A 3 11.263 -14.961 -21.085 1.00 0.00 N ATOM 20 CA SER A 3 11.270 -16.407 -20.901 1.00 0.00 C ATOM 21 C SER A 3 10.518 -16.797 -19.632 1.00 0.00 C ATOM 22 O SER A 3 11.121 -17.203 -18.640 1.00 0.00 O ATOM 23 CB SER A 3 12.707 -16.928 -20.837 1.00 0.00 C ATOM 24 OG SER A 3 13.560 -15.991 -20.202 1.00 0.00 O ATOM 0 H SER A 3 11.606 -14.432 -20.283 1.00 0.00 H new ATOM 0 HA SER A 3 10.765 -16.859 -21.755 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.731 -17.873 -20.294 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.069 -17.130 -21.845 1.00 0.00 H new ATOM 0 HG SER A 3 14.472 -16.347 -20.172 1.00 0.00 H new ATOM 30 N GLY A 4 9.195 -16.671 -19.673 1.00 0.00 N ATOM 31 CA GLY A 4 8.381 -17.014 -18.521 1.00 0.00 C ATOM 32 C GLY A 4 7.053 -16.284 -18.512 1.00 0.00 C ATOM 33 O GLY A 4 6.536 -15.908 -19.564 1.00 0.00 O ATOM 0 H GLY A 4 8.672 -16.338 -20.483 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.201 -18.089 -18.514 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.929 -16.777 -17.609 1.00 0.00 H new ATOM 37 N SER A 5 6.497 -16.085 -17.321 1.00 0.00 N ATOM 38 CA SER A 5 5.217 -15.401 -17.180 1.00 0.00 C ATOM 39 C SER A 5 4.906 -15.128 -15.712 1.00 0.00 C ATOM 40 O SER A 5 5.275 -15.907 -14.833 1.00 0.00 O ATOM 41 CB SER A 5 4.097 -16.235 -17.805 1.00 0.00 C ATOM 42 OG SER A 5 3.776 -17.349 -16.989 1.00 0.00 O ATOM 0 H SER A 5 6.913 -16.388 -16.440 1.00 0.00 H new ATOM 0 HA SER A 5 5.283 -14.447 -17.702 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.212 -15.615 -17.944 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.403 -16.580 -18.793 1.00 0.00 H new ATOM 0 HG SER A 5 3.057 -17.865 -17.409 1.00 0.00 H new ATOM 48 N SER A 6 4.224 -14.017 -15.454 1.00 0.00 N ATOM 49 CA SER A 6 3.865 -13.638 -14.092 1.00 0.00 C ATOM 50 C SER A 6 2.437 -13.106 -14.034 1.00 0.00 C ATOM 51 O SER A 6 2.120 -12.078 -14.632 1.00 0.00 O ATOM 52 CB SER A 6 4.837 -12.582 -13.561 1.00 0.00 C ATOM 53 OG SER A 6 6.006 -13.184 -13.033 1.00 0.00 O ATOM 0 H SER A 6 3.909 -13.363 -16.170 1.00 0.00 H new ATOM 0 HA SER A 6 3.928 -14.528 -13.465 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.108 -11.896 -14.364 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.348 -11.990 -12.788 1.00 0.00 H new ATOM 0 HG SER A 6 6.611 -12.488 -12.702 1.00 0.00 H new ATOM 59 N GLY A 7 1.576 -13.815 -13.310 1.00 0.00 N ATOM 60 CA GLY A 7 0.191 -13.400 -13.187 1.00 0.00 C ATOM 61 C GLY A 7 -0.138 -12.884 -11.800 1.00 0.00 C ATOM 62 O GLY A 7 0.031 -13.594 -10.808 1.00 0.00 O ATOM 0 H GLY A 7 1.813 -14.670 -12.806 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.018 -12.621 -13.920 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.460 -14.242 -13.422 1.00 0.00 H new ATOM 66 N LEU A 8 -0.608 -11.643 -11.729 1.00 0.00 N ATOM 67 CA LEU A 8 -0.961 -11.031 -10.453 1.00 0.00 C ATOM 68 C LEU A 8 -2.278 -10.270 -10.560 1.00 0.00 C ATOM 69 O LEU A 8 -2.661 -9.822 -11.640 1.00 0.00 O ATOM 70 CB LEU A 8 0.151 -10.086 -9.994 1.00 0.00 C ATOM 71 CG LEU A 8 1.522 -10.724 -9.766 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.595 -9.653 -9.643 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.500 -11.605 -8.525 1.00 0.00 C ATOM 0 H LEU A 8 -0.753 -11.041 -12.540 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.081 -11.826 -9.717 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.259 -9.296 -10.737 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.165 -9.609 -9.066 1.00 0.00 H new ATOM 0 HG LEU A 8 1.759 -11.349 -10.627 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.564 -10.126 -9.481 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.627 -9.063 -10.559 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.364 -9.001 -8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.484 -12.051 -8.378 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.241 -11.002 -7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.759 -12.394 -8.652 1.00 0.00 H new ATOM 85 N GLU A 9 -2.966 -10.125 -9.431 1.00 0.00 N ATOM 86 CA GLU A 9 -4.240 -9.417 -9.399 1.00 0.00 C ATOM 87 C GLU A 9 -4.022 -7.908 -9.323 1.00 0.00 C ATOM 88 O GLU A 9 -3.173 -7.432 -8.570 1.00 0.00 O ATOM 89 CB GLU A 9 -5.078 -9.883 -8.207 1.00 0.00 C ATOM 90 CG GLU A 9 -5.146 -11.394 -8.064 1.00 0.00 C ATOM 91 CD GLU A 9 -6.311 -11.847 -7.205 1.00 0.00 C ATOM 92 OE1 GLU A 9 -6.769 -11.050 -6.359 1.00 0.00 O ATOM 93 OE2 GLU A 9 -6.765 -12.997 -7.379 1.00 0.00 O ATOM 0 H GLU A 9 -2.662 -10.488 -8.528 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.776 -9.643 -10.321 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.662 -9.458 -7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.090 -9.490 -8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.231 -11.845 -9.053 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.215 -11.756 -7.628 1.00 0.00 H new ATOM 100 N GLN A 10 -4.794 -7.164 -10.108 1.00 0.00 N ATOM 101 CA GLN A 10 -4.684 -5.710 -10.130 1.00 0.00 C ATOM 102 C GLN A 10 -5.851 -5.065 -9.391 1.00 0.00 C ATOM 103 O GLN A 10 -7.012 -5.256 -9.755 1.00 0.00 O ATOM 104 CB GLN A 10 -4.636 -5.204 -11.573 1.00 0.00 C ATOM 105 CG GLN A 10 -3.451 -5.733 -12.364 1.00 0.00 C ATOM 106 CD GLN A 10 -3.709 -5.754 -13.858 1.00 0.00 C ATOM 107 OE1 GLN A 10 -4.082 -6.784 -14.420 1.00 0.00 O ATOM 108 NE2 GLN A 10 -3.512 -4.614 -14.509 1.00 0.00 N ATOM 0 H GLN A 10 -5.502 -7.543 -10.737 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.760 -5.432 -9.624 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.557 -5.490 -12.080 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.601 -4.115 -11.566 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.577 -5.115 -12.159 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.214 -6.742 -12.026 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.202 -3.784 -14.003 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.670 -4.568 -15.516 1.00 0.00 H new ATOM 117 N TYR A 11 -5.537 -4.300 -8.351 1.00 0.00 N ATOM 118 CA TYR A 11 -6.560 -3.629 -7.559 1.00 0.00 C ATOM 119 C TYR A 11 -6.535 -2.123 -7.800 1.00 0.00 C ATOM 120 O TYR A 11 -5.469 -1.521 -7.937 1.00 0.00 O ATOM 121 CB TYR A 11 -6.356 -3.921 -6.071 1.00 0.00 C ATOM 122 CG TYR A 11 -6.911 -5.258 -5.635 1.00 0.00 C ATOM 123 CD1 TYR A 11 -6.524 -6.433 -6.268 1.00 0.00 C ATOM 124 CD2 TYR A 11 -7.822 -5.347 -4.590 1.00 0.00 C ATOM 125 CE1 TYR A 11 -7.030 -7.657 -5.874 1.00 0.00 C ATOM 126 CE2 TYR A 11 -8.331 -6.567 -4.187 1.00 0.00 C ATOM 127 CZ TYR A 11 -7.932 -7.719 -4.833 1.00 0.00 C ATOM 128 OH TYR A 11 -8.437 -8.936 -4.436 1.00 0.00 O ATOM 0 H TYR A 11 -4.582 -4.129 -8.037 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.532 -4.013 -7.868 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.290 -3.889 -5.846 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.829 -3.132 -5.486 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -5.816 -6.389 -7.082 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -8.138 -4.447 -4.084 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -6.721 -8.560 -6.379 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -9.037 -6.618 -3.371 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.996 -9.653 -4.938 1.00 0.00 H new ATOM 138 N VAL A 12 -7.718 -1.518 -7.851 1.00 0.00 N ATOM 139 CA VAL A 12 -7.833 -0.082 -8.074 1.00 0.00 C ATOM 140 C VAL A 12 -7.922 0.674 -6.754 1.00 0.00 C ATOM 141 O VAL A 12 -8.643 0.270 -5.842 1.00 0.00 O ATOM 142 CB VAL A 12 -9.069 0.255 -8.930 1.00 0.00 C ATOM 143 CG1 VAL A 12 -9.189 1.759 -9.125 1.00 0.00 C ATOM 144 CG2 VAL A 12 -9.000 -0.461 -10.271 1.00 0.00 C ATOM 0 H VAL A 12 -8.610 -2.000 -7.741 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.934 0.229 -8.607 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.959 -0.092 -8.405 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.067 1.978 -9.732 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.288 2.245 -8.154 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.298 2.133 -9.629 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.881 -0.211 -10.862 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.103 -0.147 -10.805 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.966 -1.538 -10.107 1.00 0.00 H new ATOM 154 N VAL A 13 -7.183 1.775 -6.657 1.00 0.00 N ATOM 155 CA VAL A 13 -7.179 2.590 -5.448 1.00 0.00 C ATOM 156 C VAL A 13 -8.512 3.306 -5.264 1.00 0.00 C ATOM 157 O VAL A 13 -9.182 3.653 -6.236 1.00 0.00 O ATOM 158 CB VAL A 13 -6.047 3.634 -5.480 1.00 0.00 C ATOM 159 CG1 VAL A 13 -5.938 4.343 -4.138 1.00 0.00 C ATOM 160 CG2 VAL A 13 -4.727 2.978 -5.855 1.00 0.00 C ATOM 0 H VAL A 13 -6.579 2.123 -7.402 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.015 1.913 -4.609 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.284 4.379 -6.240 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.133 5.077 -4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.878 4.847 -3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.724 3.613 -3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.939 3.731 -5.873 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.480 2.211 -5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.815 2.521 -6.841 1.00 0.00 H new ATOM 170 N VAL A 14 -8.891 3.523 -4.008 1.00 0.00 N ATOM 171 CA VAL A 14 -10.144 4.200 -3.695 1.00 0.00 C ATOM 172 C VAL A 14 -9.891 5.525 -2.985 1.00 0.00 C ATOM 173 O VAL A 14 -10.711 6.441 -3.046 1.00 0.00 O ATOM 174 CB VAL A 14 -11.050 3.322 -2.811 1.00 0.00 C ATOM 175 CG1 VAL A 14 -11.625 2.167 -3.617 1.00 0.00 C ATOM 176 CG2 VAL A 14 -10.280 2.809 -1.603 1.00 0.00 C ATOM 0 H VAL A 14 -8.349 3.240 -3.192 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.647 4.390 -4.643 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.879 3.932 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.262 1.558 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.214 2.559 -4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.812 1.555 -4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.935 2.191 -0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.430 2.215 -1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.922 3.654 -1.014 1.00 0.00 H new ATOM 186 N SER A 15 -8.748 5.621 -2.313 1.00 0.00 N ATOM 187 CA SER A 15 -8.387 6.834 -1.588 1.00 0.00 C ATOM 188 C SER A 15 -6.898 7.133 -1.736 1.00 0.00 C ATOM 189 O SER A 15 -6.090 6.227 -1.936 1.00 0.00 O ATOM 190 CB SER A 15 -8.746 6.694 -0.107 1.00 0.00 C ATOM 191 OG SER A 15 -8.097 7.686 0.670 1.00 0.00 O ATOM 0 H SER A 15 -8.056 4.874 -2.256 1.00 0.00 H new ATOM 0 HA SER A 15 -8.950 7.664 -2.014 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.826 6.778 0.018 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.460 5.704 0.248 1.00 0.00 H new ATOM 0 HG SER A 15 -7.706 7.273 1.468 1.00 0.00 H new ATOM 197 N ASN A 16 -6.545 8.410 -1.638 1.00 0.00 N ATOM 198 CA ASN A 16 -5.154 8.830 -1.762 1.00 0.00 C ATOM 199 C ASN A 16 -4.345 8.398 -0.542 1.00 0.00 C ATOM 200 O ASN A 16 -4.817 8.483 0.591 1.00 0.00 O ATOM 201 CB ASN A 16 -5.071 10.348 -1.931 1.00 0.00 C ATOM 202 CG ASN A 16 -5.351 11.090 -0.638 1.00 0.00 C ATOM 203 OD1 ASN A 16 -4.432 11.443 0.100 1.00 0.00 O ATOM 204 ND2 ASN A 16 -6.627 11.330 -0.359 1.00 0.00 N ATOM 0 H ASN A 16 -7.203 9.172 -1.473 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.732 8.349 -2.645 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.079 10.617 -2.293 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.785 10.666 -2.691 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.877 11.826 0.497 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.357 11.019 -1.000 1.00 0.00 H new ATOM 211 N TYR A 17 -3.123 7.935 -0.784 1.00 0.00 N ATOM 212 CA TYR A 17 -2.249 7.487 0.293 1.00 0.00 C ATOM 213 C TYR A 17 -0.995 8.353 0.372 1.00 0.00 C ATOM 214 O TYR A 17 -0.557 8.926 -0.626 1.00 0.00 O ATOM 215 CB TYR A 17 -1.858 6.023 0.087 1.00 0.00 C ATOM 216 CG TYR A 17 -1.613 5.274 1.377 1.00 0.00 C ATOM 217 CD1 TYR A 17 -2.673 4.810 2.147 1.00 0.00 C ATOM 218 CD2 TYR A 17 -0.321 5.029 1.827 1.00 0.00 C ATOM 219 CE1 TYR A 17 -2.453 4.126 3.327 1.00 0.00 C ATOM 220 CE2 TYR A 17 -0.092 4.345 3.004 1.00 0.00 C ATOM 221 CZ TYR A 17 -1.161 3.896 3.751 1.00 0.00 C ATOM 222 OH TYR A 17 -0.938 3.214 4.925 1.00 0.00 O ATOM 0 H TYR A 17 -2.716 7.860 -1.716 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.795 7.581 1.232 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.648 5.520 -0.471 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.957 5.979 -0.525 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.686 4.987 1.817 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.519 5.380 1.246 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.288 3.773 3.914 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.919 4.162 3.338 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.341 2.456 4.755 1.00 0.00 H new ATOM 232 N LYS A 18 -0.421 8.444 1.567 1.00 0.00 N ATOM 233 CA LYS A 18 0.784 9.237 1.780 1.00 0.00 C ATOM 234 C LYS A 18 1.769 8.500 2.681 1.00 0.00 C ATOM 235 O LYS A 18 1.508 8.293 3.866 1.00 0.00 O ATOM 236 CB LYS A 18 0.425 10.590 2.398 1.00 0.00 C ATOM 237 CG LYS A 18 1.469 11.666 2.153 1.00 0.00 C ATOM 238 CD LYS A 18 1.154 12.935 2.928 1.00 0.00 C ATOM 239 CE LYS A 18 2.211 14.005 2.699 1.00 0.00 C ATOM 240 NZ LYS A 18 1.998 14.729 1.415 1.00 0.00 N ATOM 0 H LYS A 18 -0.772 7.978 2.404 1.00 0.00 H new ATOM 0 HA LYS A 18 1.257 9.400 0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.530 10.923 1.993 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.289 10.465 3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.451 11.295 2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.517 11.892 1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.178 13.315 2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.091 12.707 3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.192 14.716 3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.199 13.545 2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.738 15.449 1.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.041 14.054 0.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.066 15.190 1.427 1.00 0.00 H new ATOM 254 N LYS A 19 2.904 8.106 2.112 1.00 0.00 N ATOM 255 CA LYS A 19 3.930 7.394 2.863 1.00 0.00 C ATOM 256 C LYS A 19 4.411 8.225 4.049 1.00 0.00 C ATOM 257 O LYS A 19 4.451 9.453 3.981 1.00 0.00 O ATOM 258 CB LYS A 19 5.113 7.052 1.954 1.00 0.00 C ATOM 259 CG LYS A 19 5.900 8.268 1.497 1.00 0.00 C ATOM 260 CD LYS A 19 6.601 8.013 0.173 1.00 0.00 C ATOM 261 CE LYS A 19 7.861 7.181 0.361 1.00 0.00 C ATOM 262 NZ LYS A 19 8.187 6.385 -0.854 1.00 0.00 N ATOM 0 H LYS A 19 3.136 8.268 1.132 1.00 0.00 H new ATOM 0 HA LYS A 19 3.492 6.470 3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.783 6.374 2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.745 6.518 1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.228 9.120 1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.637 8.531 2.255 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.922 7.498 -0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.858 8.964 -0.293 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.697 7.838 0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.730 6.510 1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.052 5.832 -0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.400 5.740 -1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.338 7.026 -1.659 1.00 0.00 H new ATOM 276 N GLN A 20 4.776 7.547 5.132 1.00 0.00 N ATOM 277 CA GLN A 20 5.255 8.223 6.331 1.00 0.00 C ATOM 278 C GLN A 20 6.651 7.738 6.710 1.00 0.00 C ATOM 279 O GLN A 20 7.509 8.530 7.098 1.00 0.00 O ATOM 280 CB GLN A 20 4.289 7.991 7.494 1.00 0.00 C ATOM 281 CG GLN A 20 4.380 9.049 8.581 1.00 0.00 C ATOM 282 CD GLN A 20 3.641 10.323 8.219 1.00 0.00 C ATOM 283 OE1 GLN A 20 3.577 10.706 7.051 1.00 0.00 O ATOM 284 NE2 GLN A 20 3.078 10.987 9.222 1.00 0.00 N ATOM 0 H GLN A 20 4.749 6.530 5.204 1.00 0.00 H new ATOM 0 HA GLN A 20 5.307 9.291 6.118 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.270 7.965 7.109 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.490 7.013 7.932 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.972 8.648 9.508 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.428 9.282 8.769 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.156 10.633 10.175 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.568 11.851 9.039 1.00 0.00 H new ATOM 293 N GLU A 21 6.869 6.432 6.594 1.00 0.00 N ATOM 294 CA GLU A 21 8.161 5.842 6.926 1.00 0.00 C ATOM 295 C GLU A 21 9.017 5.667 5.674 1.00 0.00 C ATOM 296 O GLU A 21 9.885 4.797 5.620 1.00 0.00 O ATOM 297 CB GLU A 21 7.967 4.491 7.617 1.00 0.00 C ATOM 298 CG GLU A 21 7.565 4.606 9.078 1.00 0.00 C ATOM 299 CD GLU A 21 7.690 3.292 9.823 1.00 0.00 C ATOM 300 OE1 GLU A 21 7.521 2.231 9.186 1.00 0.00 O ATOM 301 OE2 GLU A 21 7.956 3.324 11.042 1.00 0.00 O ATOM 0 H GLU A 21 6.169 5.763 6.273 1.00 0.00 H new ATOM 0 HA GLU A 21 8.677 6.519 7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.204 3.925 7.082 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.893 3.921 7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.189 5.356 9.565 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.535 4.958 9.141 1.00 0.00 H new ATOM 308 N ASN A 22 8.764 6.501 4.671 1.00 0.00 N ATOM 309 CA ASN A 22 9.510 6.439 3.419 1.00 0.00 C ATOM 310 C ASN A 22 9.498 5.024 2.849 1.00 0.00 C ATOM 311 O ASN A 22 10.441 4.607 2.176 1.00 0.00 O ATOM 312 CB ASN A 22 10.952 6.901 3.637 1.00 0.00 C ATOM 313 CG ASN A 22 11.029 8.283 4.258 1.00 0.00 C ATOM 314 OD1 ASN A 22 10.121 9.099 4.098 1.00 0.00 O ATOM 315 ND2 ASN A 22 12.116 8.551 4.972 1.00 0.00 N ATOM 0 H ASN A 22 8.049 7.227 4.700 1.00 0.00 H new ATOM 0 HA ASN A 22 9.027 7.104 2.703 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.466 6.187 4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.478 6.905 2.682 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.223 9.464 5.414 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.844 7.844 5.078 1.00 0.00 H new ATOM 322 N SER A 23 8.424 4.291 3.122 1.00 0.00 N ATOM 323 CA SER A 23 8.290 2.921 2.639 1.00 0.00 C ATOM 324 C SER A 23 6.996 2.747 1.850 1.00 0.00 C ATOM 325 O SER A 23 7.014 2.327 0.694 1.00 0.00 O ATOM 326 CB SER A 23 8.322 1.939 3.811 1.00 0.00 C ATOM 327 OG SER A 23 9.360 2.264 4.721 1.00 0.00 O ATOM 0 H SER A 23 7.634 4.622 3.675 1.00 0.00 H new ATOM 0 HA SER A 23 9.130 2.712 1.976 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.363 1.954 4.328 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.466 0.926 3.437 1.00 0.00 H new ATOM 0 HG SER A 23 9.257 3.193 5.016 1.00 0.00 H new ATOM 333 N GLU A 24 5.875 3.073 2.485 1.00 0.00 N ATOM 334 CA GLU A 24 4.571 2.952 1.844 1.00 0.00 C ATOM 335 C GLU A 24 4.560 3.665 0.494 1.00 0.00 C ATOM 336 O GLU A 24 5.447 4.466 0.196 1.00 0.00 O ATOM 337 CB GLU A 24 3.478 3.529 2.746 1.00 0.00 C ATOM 338 CG GLU A 24 3.156 2.655 3.947 1.00 0.00 C ATOM 339 CD GLU A 24 4.157 2.821 5.074 1.00 0.00 C ATOM 340 OE1 GLU A 24 4.026 3.796 5.844 1.00 0.00 O ATOM 341 OE2 GLU A 24 5.070 1.977 5.186 1.00 0.00 O ATOM 0 H GLU A 24 5.844 3.423 3.443 1.00 0.00 H new ATOM 0 HA GLU A 24 4.374 1.893 1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.790 4.513 3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.571 3.672 2.158 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.159 2.900 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.134 1.610 3.636 1.00 0.00 H new ATOM 348 N LEU A 25 3.552 3.366 -0.318 1.00 0.00 N ATOM 349 CA LEU A 25 3.425 3.977 -1.636 1.00 0.00 C ATOM 350 C LEU A 25 2.364 5.072 -1.629 1.00 0.00 C ATOM 351 O LEU A 25 1.209 4.829 -1.280 1.00 0.00 O ATOM 352 CB LEU A 25 3.072 2.916 -2.680 1.00 0.00 C ATOM 353 CG LEU A 25 4.252 2.168 -3.302 1.00 0.00 C ATOM 354 CD1 LEU A 25 3.758 1.077 -4.240 1.00 0.00 C ATOM 355 CD2 LEU A 25 5.167 3.134 -4.039 1.00 0.00 C ATOM 0 H LEU A 25 2.811 2.704 -0.087 1.00 0.00 H new ATOM 0 HA LEU A 25 4.384 4.427 -1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.408 2.186 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.509 3.396 -3.481 1.00 0.00 H new ATOM 0 HG LEU A 25 4.823 1.698 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.612 0.556 -4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.145 0.369 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.163 1.524 -5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.001 2.584 -4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.608 3.633 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.549 3.878 -3.340 1.00 0.00 H new ATOM 367 N SER A 26 2.763 6.279 -2.019 1.00 0.00 N ATOM 368 CA SER A 26 1.846 7.412 -2.055 1.00 0.00 C ATOM 369 C SER A 26 0.917 7.321 -3.263 1.00 0.00 C ATOM 370 O SER A 26 1.055 8.077 -4.225 1.00 0.00 O ATOM 371 CB SER A 26 2.628 8.726 -2.098 1.00 0.00 C ATOM 372 OG SER A 26 1.755 9.835 -2.235 1.00 0.00 O ATOM 0 H SER A 26 3.715 6.497 -2.314 1.00 0.00 H new ATOM 0 HA SER A 26 1.240 7.387 -1.149 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.216 8.833 -1.187 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.331 8.707 -2.931 1.00 0.00 H new ATOM 0 HG SER A 26 0.934 9.670 -1.726 1.00 0.00 H new ATOM 378 N LEU A 27 -0.028 6.389 -3.204 1.00 0.00 N ATOM 379 CA LEU A 27 -0.981 6.197 -4.292 1.00 0.00 C ATOM 380 C LEU A 27 -1.957 7.366 -4.373 1.00 0.00 C ATOM 381 O LEU A 27 -1.863 8.320 -3.602 1.00 0.00 O ATOM 382 CB LEU A 27 -1.749 4.888 -4.099 1.00 0.00 C ATOM 383 CG LEU A 27 -0.912 3.672 -3.702 1.00 0.00 C ATOM 384 CD1 LEU A 27 -1.812 2.498 -3.346 1.00 0.00 C ATOM 385 CD2 LEU A 27 0.044 3.293 -4.823 1.00 0.00 C ATOM 0 H LEU A 27 -0.155 5.755 -2.415 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.423 6.148 -5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.510 5.046 -3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.272 4.657 -5.027 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.323 3.932 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.199 1.641 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.455 2.773 -2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.428 2.238 -4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.631 2.425 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.525 3.052 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.712 4.129 -5.030 1.00 0.00 H new ATOM 397 N GLN A 28 -2.895 7.283 -5.311 1.00 0.00 N ATOM 398 CA GLN A 28 -3.890 8.333 -5.491 1.00 0.00 C ATOM 399 C GLN A 28 -5.211 7.753 -5.988 1.00 0.00 C ATOM 400 O GLN A 28 -5.228 6.776 -6.736 1.00 0.00 O ATOM 401 CB GLN A 28 -3.379 9.385 -6.477 1.00 0.00 C ATOM 402 CG GLN A 28 -3.968 10.768 -6.250 1.00 0.00 C ATOM 403 CD GLN A 28 -3.782 11.685 -7.443 1.00 0.00 C ATOM 404 OE1 GLN A 28 -2.940 11.436 -8.306 1.00 0.00 O ATOM 405 NE2 GLN A 28 -4.569 12.753 -7.498 1.00 0.00 N ATOM 0 H GLN A 28 -2.987 6.500 -5.958 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.062 8.805 -4.524 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.293 9.445 -6.402 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.611 9.063 -7.492 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.032 10.674 -6.031 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.501 11.218 -5.374 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.253 12.921 -6.761 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.489 13.406 -8.278 1.00 0.00 H new ATOM 414 N ALA A 29 -6.314 8.362 -5.567 1.00 0.00 N ATOM 415 CA ALA A 29 -7.639 7.907 -5.970 1.00 0.00 C ATOM 416 C ALA A 29 -7.737 7.777 -7.486 1.00 0.00 C ATOM 417 O ALA A 29 -7.614 8.763 -8.213 1.00 0.00 O ATOM 418 CB ALA A 29 -8.705 8.859 -5.450 1.00 0.00 C ATOM 0 H ALA A 29 -6.317 9.172 -4.947 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.805 6.921 -5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.689 8.507 -5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.658 8.898 -4.362 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.532 9.856 -5.857 1.00 0.00 H new ATOM 424 N GLY A 30 -7.958 6.554 -7.958 1.00 0.00 N ATOM 425 CA GLY A 30 -8.068 6.318 -9.386 1.00 0.00 C ATOM 426 C GLY A 30 -6.892 5.536 -9.936 1.00 0.00 C ATOM 427 O GLY A 30 -6.980 4.946 -11.013 1.00 0.00 O ATOM 0 H GLY A 30 -8.063 5.722 -7.377 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.990 5.774 -9.591 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.139 7.274 -9.905 1.00 0.00 H new ATOM 431 N GLU A 31 -5.787 5.531 -9.196 1.00 0.00 N ATOM 432 CA GLU A 31 -4.588 4.817 -9.619 1.00 0.00 C ATOM 433 C GLU A 31 -4.796 3.308 -9.536 1.00 0.00 C ATOM 434 O GLU A 31 -5.712 2.832 -8.865 1.00 0.00 O ATOM 435 CB GLU A 31 -3.393 5.226 -8.756 1.00 0.00 C ATOM 436 CG GLU A 31 -2.059 5.130 -9.478 1.00 0.00 C ATOM 437 CD GLU A 31 -2.028 5.947 -10.755 1.00 0.00 C ATOM 438 OE1 GLU A 31 -2.213 7.179 -10.677 1.00 0.00 O ATOM 439 OE2 GLU A 31 -1.817 5.353 -11.833 1.00 0.00 O ATOM 0 H GLU A 31 -5.698 6.013 -8.302 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.385 5.082 -10.657 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.538 6.250 -8.412 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.363 4.593 -7.869 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.265 5.471 -8.814 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.852 4.086 -9.714 1.00 0.00 H new ATOM 446 N VAL A 32 -3.940 2.559 -10.224 1.00 0.00 N ATOM 447 CA VAL A 32 -4.028 1.104 -10.228 1.00 0.00 C ATOM 448 C VAL A 32 -2.722 0.472 -9.762 1.00 0.00 C ATOM 449 O VAL A 32 -1.638 0.992 -10.029 1.00 0.00 O ATOM 450 CB VAL A 32 -4.373 0.567 -11.630 1.00 0.00 C ATOM 451 CG1 VAL A 32 -4.493 -0.949 -11.607 1.00 0.00 C ATOM 452 CG2 VAL A 32 -5.656 1.204 -12.144 1.00 0.00 C ATOM 0 H VAL A 32 -3.177 2.937 -10.786 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.826 0.834 -9.536 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.564 0.833 -12.311 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.737 -1.310 -12.606 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.547 -1.384 -11.285 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.281 -1.241 -10.913 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.884 0.813 -13.136 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.476 0.971 -11.464 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.528 2.285 -12.201 1.00 0.00 H new ATOM 462 N VAL A 33 -2.832 -0.653 -9.062 1.00 0.00 N ATOM 463 CA VAL A 33 -1.659 -1.357 -8.558 1.00 0.00 C ATOM 464 C VAL A 33 -1.789 -2.862 -8.769 1.00 0.00 C ATOM 465 O VAL A 33 -2.860 -3.360 -9.114 1.00 0.00 O ATOM 466 CB VAL A 33 -1.436 -1.077 -7.060 1.00 0.00 C ATOM 467 CG1 VAL A 33 -1.320 0.418 -6.808 1.00 0.00 C ATOM 468 CG2 VAL A 33 -2.561 -1.680 -6.233 1.00 0.00 C ATOM 0 H VAL A 33 -3.721 -1.096 -8.831 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.802 -0.986 -9.120 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.500 -1.546 -6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.163 0.597 -5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.477 0.818 -7.372 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.237 0.913 -7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.388 -1.473 -5.177 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.512 -1.242 -6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.591 -2.758 -6.391 1.00 0.00 H new ATOM 478 N ASP A 34 -0.691 -3.580 -8.559 1.00 0.00 N ATOM 479 CA ASP A 34 -0.682 -5.029 -8.724 1.00 0.00 C ATOM 480 C ASP A 34 -0.304 -5.722 -7.419 1.00 0.00 C ATOM 481 O ASP A 34 0.838 -5.638 -6.967 1.00 0.00 O ATOM 482 CB ASP A 34 0.293 -5.431 -9.831 1.00 0.00 C ATOM 483 CG ASP A 34 -0.261 -5.164 -11.217 1.00 0.00 C ATOM 484 OD1 ASP A 34 -0.657 -4.010 -11.486 1.00 0.00 O ATOM 485 OD2 ASP A 34 -0.299 -6.109 -12.032 1.00 0.00 O ATOM 0 H ASP A 34 0.204 -3.182 -8.274 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.687 -5.345 -9.004 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.227 -4.883 -9.705 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.529 -6.491 -9.736 1.00 0.00 H new ATOM 490 N VAL A 35 -1.271 -6.407 -6.816 1.00 0.00 N ATOM 491 CA VAL A 35 -1.040 -7.115 -5.563 1.00 0.00 C ATOM 492 C VAL A 35 -0.117 -8.310 -5.769 1.00 0.00 C ATOM 493 O VAL A 35 -0.397 -9.190 -6.585 1.00 0.00 O ATOM 494 CB VAL A 35 -2.362 -7.602 -4.941 1.00 0.00 C ATOM 495 CG1 VAL A 35 -2.112 -8.230 -3.579 1.00 0.00 C ATOM 496 CG2 VAL A 35 -3.355 -6.455 -4.835 1.00 0.00 C ATOM 0 H VAL A 35 -2.222 -6.486 -7.176 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.566 -6.407 -4.883 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.791 -8.364 -5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.058 -8.568 -3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.439 -9.080 -3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.660 -7.492 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.283 -6.817 -4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.937 -5.669 -4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.557 -6.056 -5.829 1.00 0.00 H new ATOM 506 N ILE A 36 0.984 -8.337 -5.025 1.00 0.00 N ATOM 507 CA ILE A 36 1.947 -9.426 -5.126 1.00 0.00 C ATOM 508 C ILE A 36 1.797 -10.402 -3.964 1.00 0.00 C ATOM 509 O ILE A 36 1.715 -11.613 -4.165 1.00 0.00 O ATOM 510 CB ILE A 36 3.394 -8.897 -5.154 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.586 -7.937 -6.330 1.00 0.00 C ATOM 512 CG2 ILE A 36 4.379 -10.053 -5.240 1.00 0.00 C ATOM 513 CD1 ILE A 36 4.918 -7.220 -6.313 1.00 0.00 C ATOM 0 H ILE A 36 1.231 -7.617 -4.346 1.00 0.00 H new ATOM 0 HA ILE A 36 1.740 -9.945 -6.062 1.00 0.00 H new ATOM 0 HB ILE A 36 3.584 -8.352 -4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.494 -8.494 -7.262 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.785 -7.198 -6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.397 -9.663 -5.259 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.255 -10.702 -4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.192 -10.623 -6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.985 -6.557 -7.175 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.005 -6.635 -5.397 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.725 -7.951 -6.354 1.00 0.00 H new ATOM 525 N GLU A 37 1.761 -9.865 -2.748 1.00 0.00 N ATOM 526 CA GLU A 37 1.619 -10.689 -1.554 1.00 0.00 C ATOM 527 C GLU A 37 0.491 -10.172 -0.666 1.00 0.00 C ATOM 528 O GLU A 37 -0.070 -9.104 -0.914 1.00 0.00 O ATOM 529 CB GLU A 37 2.931 -10.715 -0.767 1.00 0.00 C ATOM 530 CG GLU A 37 3.822 -11.898 -1.108 1.00 0.00 C ATOM 531 CD GLU A 37 3.297 -13.205 -0.546 1.00 0.00 C ATOM 532 OE1 GLU A 37 2.238 -13.672 -1.017 1.00 0.00 O ATOM 533 OE2 GLU A 37 3.945 -13.761 0.366 1.00 0.00 O ATOM 0 H GLU A 37 1.828 -8.864 -2.565 1.00 0.00 H new ATOM 0 HA GLU A 37 1.373 -11.702 -1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.478 -9.792 -0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.705 -10.736 0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.910 -11.982 -2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.824 -11.717 -0.720 1.00 0.00 H new ATOM 540 N LYS A 38 0.163 -10.937 0.369 1.00 0.00 N ATOM 541 CA LYS A 38 -0.897 -10.557 1.296 1.00 0.00 C ATOM 542 C LYS A 38 -0.564 -11.003 2.716 1.00 0.00 C ATOM 543 O LYS A 38 -0.304 -12.180 2.962 1.00 0.00 O ATOM 544 CB LYS A 38 -2.230 -11.169 0.857 1.00 0.00 C ATOM 545 CG LYS A 38 -2.667 -10.741 -0.533 1.00 0.00 C ATOM 546 CD LYS A 38 -3.862 -11.546 -1.014 1.00 0.00 C ATOM 547 CE LYS A 38 -3.960 -11.545 -2.532 1.00 0.00 C ATOM 548 NZ LYS A 38 -3.377 -12.780 -3.126 1.00 0.00 N ATOM 0 H LYS A 38 0.616 -11.824 0.588 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.982 -9.470 1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.148 -12.256 0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.002 -10.889 1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.921 -9.681 -0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.839 -10.866 -1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.780 -12.572 -0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.776 -11.132 -0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.005 -11.458 -2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.442 -10.672 -2.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.463 -12.741 -4.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.373 -12.850 -2.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.887 -13.612 -2.767 1.00 0.00 H new ATOM 562 N ASN A 39 -0.576 -10.055 3.647 1.00 0.00 N ATOM 563 CA ASN A 39 -0.275 -10.352 5.043 1.00 0.00 C ATOM 564 C ASN A 39 -1.550 -10.373 5.881 1.00 0.00 C ATOM 565 O ASN A 39 -2.428 -9.527 5.714 1.00 0.00 O ATOM 566 CB ASN A 39 0.701 -9.318 5.607 1.00 0.00 C ATOM 567 CG ASN A 39 1.407 -9.810 6.856 1.00 0.00 C ATOM 568 OD1 ASN A 39 1.189 -10.936 7.303 1.00 0.00 O ATOM 569 ND2 ASN A 39 2.258 -8.965 7.427 1.00 0.00 N ATOM 0 H ASN A 39 -0.791 -9.075 3.461 1.00 0.00 H new ATOM 0 HA ASN A 39 0.185 -11.339 5.088 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.443 -9.070 4.848 1.00 0.00 H new ATOM 0 HB3 ASN A 39 0.161 -8.400 5.836 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.761 -9.240 8.270 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.408 -8.041 7.022 1.00 0.00 H new ATOM 576 N GLU A 40 -1.643 -11.346 6.782 1.00 0.00 N ATOM 577 CA GLU A 40 -2.811 -11.477 7.646 1.00 0.00 C ATOM 578 C GLU A 40 -3.038 -10.202 8.452 1.00 0.00 C ATOM 579 O GLU A 40 -4.167 -9.884 8.826 1.00 0.00 O ATOM 580 CB GLU A 40 -2.642 -12.668 8.592 1.00 0.00 C ATOM 581 CG GLU A 40 -3.880 -12.968 9.420 1.00 0.00 C ATOM 582 CD GLU A 40 -3.782 -14.288 10.159 1.00 0.00 C ATOM 583 OE1 GLU A 40 -2.930 -14.398 11.066 1.00 0.00 O ATOM 584 OE2 GLU A 40 -4.556 -15.211 9.831 1.00 0.00 O ATOM 0 H GLU A 40 -0.925 -12.054 6.933 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.682 -11.645 7.013 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.383 -13.551 8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.805 -12.473 9.263 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.035 -12.164 10.139 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.753 -12.985 8.768 1.00 0.00 H new ATOM 591 N SER A 41 -1.957 -9.474 8.714 1.00 0.00 N ATOM 592 CA SER A 41 -2.037 -8.235 9.479 1.00 0.00 C ATOM 593 C SER A 41 -3.004 -7.254 8.824 1.00 0.00 C ATOM 594 O SER A 41 -3.706 -6.508 9.506 1.00 0.00 O ATOM 595 CB SER A 41 -0.651 -7.598 9.603 1.00 0.00 C ATOM 596 OG SER A 41 -0.001 -7.543 8.346 1.00 0.00 O ATOM 0 H SER A 41 -1.016 -9.721 8.408 1.00 0.00 H new ATOM 0 HA SER A 41 -2.410 -8.474 10.475 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.745 -6.592 10.012 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.045 -8.172 10.304 1.00 0.00 H new ATOM 0 HG SER A 41 0.806 -6.992 8.419 1.00 0.00 H new ATOM 602 N GLY A 42 -3.034 -7.260 7.495 1.00 0.00 N ATOM 603 CA GLY A 42 -3.918 -6.367 6.769 1.00 0.00 C ATOM 604 C GLY A 42 -3.196 -5.593 5.684 1.00 0.00 C ATOM 605 O GLY A 42 -3.820 -5.099 4.745 1.00 0.00 O ATOM 0 H GLY A 42 -2.462 -7.867 6.908 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.726 -6.945 6.322 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.376 -5.667 7.468 1.00 0.00 H new ATOM 609 N TRP A 43 -1.878 -5.487 5.812 1.00 0.00 N ATOM 610 CA TRP A 43 -1.071 -4.766 4.835 1.00 0.00 C ATOM 611 C TRP A 43 -0.772 -5.642 3.623 1.00 0.00 C ATOM 612 O TRP A 43 -0.305 -6.772 3.764 1.00 0.00 O ATOM 613 CB TRP A 43 0.236 -4.292 5.473 1.00 0.00 C ATOM 614 CG TRP A 43 0.047 -3.179 6.458 1.00 0.00 C ATOM 615 CD1 TRP A 43 -0.303 -3.299 7.773 1.00 0.00 C ATOM 616 CD2 TRP A 43 0.196 -1.777 6.207 1.00 0.00 C ATOM 617 NE1 TRP A 43 -0.381 -2.056 8.354 1.00 0.00 N ATOM 618 CE2 TRP A 43 -0.078 -1.106 7.415 1.00 0.00 C ATOM 619 CE3 TRP A 43 0.537 -1.024 5.080 1.00 0.00 C ATOM 620 CZ2 TRP A 43 -0.023 0.281 7.524 1.00 0.00 C ATOM 621 CZ3 TRP A 43 0.591 0.353 5.191 1.00 0.00 C ATOM 622 CH2 TRP A 43 0.313 0.994 6.405 1.00 0.00 C ATOM 0 H TRP A 43 -1.346 -5.891 6.583 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.639 -3.898 4.501 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.713 -5.134 5.974 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.916 -3.961 4.688 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.491 -4.233 8.281 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.625 -1.871 9.327 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.754 -1.509 4.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.238 0.777 8.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.852 0.945 4.326 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.365 2.071 6.459 1.00 0.00 H new ATOM 633 N TRP A 44 -1.043 -5.113 2.436 1.00 0.00 N ATOM 634 CA TRP A 44 -0.802 -5.849 1.199 1.00 0.00 C ATOM 635 C TRP A 44 0.415 -5.296 0.465 1.00 0.00 C ATOM 636 O TRP A 44 0.693 -4.098 0.520 1.00 0.00 O ATOM 637 CB TRP A 44 -2.033 -5.783 0.294 1.00 0.00 C ATOM 638 CG TRP A 44 -3.122 -6.728 0.702 1.00 0.00 C ATOM 639 CD1 TRP A 44 -3.372 -7.196 1.961 1.00 0.00 C ATOM 640 CD2 TRP A 44 -4.105 -7.323 -0.152 1.00 0.00 C ATOM 641 NE1 TRP A 44 -4.452 -8.045 1.941 1.00 0.00 N ATOM 642 CE2 TRP A 44 -4.920 -8.139 0.657 1.00 0.00 C ATOM 643 CE3 TRP A 44 -4.378 -7.244 -1.520 1.00 0.00 C ATOM 644 CZ2 TRP A 44 -5.987 -8.870 0.140 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -5.436 -7.971 -2.031 1.00 0.00 C ATOM 646 CH2 TRP A 44 -6.231 -8.774 -1.203 1.00 0.00 C ATOM 0 H TRP A 44 -1.429 -4.178 2.303 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.605 -6.890 1.457 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.424 -4.766 0.299 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.734 -6.005 -0.730 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.804 -6.937 2.842 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.842 -8.527 2.751 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.773 -6.626 -2.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.600 -9.491 0.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.654 -7.919 -3.088 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -7.052 -9.328 -1.633 1.00 0.00 H new ATOM 657 N PHE A 45 1.136 -6.175 -0.222 1.00 0.00 N ATOM 658 CA PHE A 45 2.324 -5.774 -0.967 1.00 0.00 C ATOM 659 C PHE A 45 1.999 -5.581 -2.445 1.00 0.00 C ATOM 660 O PHE A 45 2.023 -6.531 -3.227 1.00 0.00 O ATOM 661 CB PHE A 45 3.429 -6.820 -0.808 1.00 0.00 C ATOM 662 CG PHE A 45 4.741 -6.402 -1.409 1.00 0.00 C ATOM 663 CD1 PHE A 45 5.288 -5.163 -1.116 1.00 0.00 C ATOM 664 CD2 PHE A 45 5.427 -7.248 -2.265 1.00 0.00 C ATOM 665 CE1 PHE A 45 6.495 -4.776 -1.669 1.00 0.00 C ATOM 666 CE2 PHE A 45 6.634 -6.866 -2.820 1.00 0.00 C ATOM 667 CZ PHE A 45 7.169 -5.629 -2.520 1.00 0.00 C ATOM 0 H PHE A 45 0.919 -7.170 -0.279 1.00 0.00 H new ATOM 0 HA PHE A 45 2.673 -4.824 -0.563 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.573 -7.026 0.253 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.106 -7.752 -1.273 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.766 -4.493 -0.449 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.014 -8.217 -2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.910 -3.807 -1.435 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.158 -7.534 -3.487 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.113 -5.329 -2.950 1.00 0.00 H new ATOM 677 N VAL A 46 1.695 -4.343 -2.821 1.00 0.00 N ATOM 678 CA VAL A 46 1.365 -4.023 -4.205 1.00 0.00 C ATOM 679 C VAL A 46 2.580 -3.476 -4.947 1.00 0.00 C ATOM 680 O VAL A 46 3.509 -2.951 -4.334 1.00 0.00 O ATOM 681 CB VAL A 46 0.221 -2.996 -4.287 1.00 0.00 C ATOM 682 CG1 VAL A 46 -1.010 -3.508 -3.555 1.00 0.00 C ATOM 683 CG2 VAL A 46 0.668 -1.655 -3.723 1.00 0.00 C ATOM 0 H VAL A 46 1.670 -3.545 -2.186 1.00 0.00 H new ATOM 0 HA VAL A 46 1.043 -4.952 -4.676 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.042 -2.854 -5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.808 -2.769 -3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.341 -4.442 -4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.765 -3.681 -2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.153 -0.941 -3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.959 -1.778 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.518 -1.284 -4.296 1.00 0.00 H new ATOM 693 N SER A 47 2.564 -3.601 -6.270 1.00 0.00 N ATOM 694 CA SER A 47 3.666 -3.122 -7.096 1.00 0.00 C ATOM 695 C SER A 47 3.143 -2.360 -8.311 1.00 0.00 C ATOM 696 O SER A 47 2.330 -2.876 -9.079 1.00 0.00 O ATOM 697 CB SER A 47 4.538 -4.294 -7.551 1.00 0.00 C ATOM 698 OG SER A 47 5.243 -3.974 -8.738 1.00 0.00 O ATOM 0 H SER A 47 1.800 -4.030 -6.793 1.00 0.00 H new ATOM 0 HA SER A 47 4.269 -2.442 -6.494 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.245 -4.553 -6.763 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.914 -5.172 -7.720 1.00 0.00 H new ATOM 0 HG SER A 47 5.794 -4.738 -9.007 1.00 0.00 H new ATOM 704 N THR A 48 3.616 -1.129 -8.478 1.00 0.00 N ATOM 705 CA THR A 48 3.197 -0.295 -9.597 1.00 0.00 C ATOM 706 C THR A 48 4.354 -0.039 -10.556 1.00 0.00 C ATOM 707 O THR A 48 5.508 -0.329 -10.242 1.00 0.00 O ATOM 708 CB THR A 48 2.638 1.056 -9.112 1.00 0.00 C ATOM 709 OG1 THR A 48 3.705 1.889 -8.648 1.00 0.00 O ATOM 710 CG2 THR A 48 1.624 0.853 -7.997 1.00 0.00 C ATOM 0 H THR A 48 4.290 -0.688 -7.852 1.00 0.00 H new ATOM 0 HA THR A 48 2.410 -0.839 -10.119 1.00 0.00 H new ATOM 0 HB THR A 48 2.139 1.540 -9.951 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.294 1.370 -8.062 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.243 1.821 -7.671 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.798 0.243 -8.363 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.103 0.350 -7.157 1.00 0.00 H new ATOM 718 N SER A 49 4.037 0.507 -11.726 1.00 0.00 N ATOM 719 CA SER A 49 5.051 0.800 -12.732 1.00 0.00 C ATOM 720 C SER A 49 6.119 1.735 -12.171 1.00 0.00 C ATOM 721 O SER A 49 7.263 1.728 -12.624 1.00 0.00 O ATOM 722 CB SER A 49 4.406 1.428 -13.969 1.00 0.00 C ATOM 723 OG SER A 49 5.307 1.441 -15.063 1.00 0.00 O ATOM 0 H SER A 49 3.086 0.755 -12.000 1.00 0.00 H new ATOM 0 HA SER A 49 5.527 -0.138 -13.016 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.510 0.870 -14.239 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.091 2.446 -13.741 1.00 0.00 H new ATOM 0 HG SER A 49 4.871 1.846 -15.841 1.00 0.00 H new ATOM 729 N GLU A 50 5.735 2.537 -11.184 1.00 0.00 N ATOM 730 CA GLU A 50 6.659 3.478 -10.562 1.00 0.00 C ATOM 731 C GLU A 50 7.540 2.776 -9.533 1.00 0.00 C ATOM 732 O GLU A 50 8.751 2.659 -9.715 1.00 0.00 O ATOM 733 CB GLU A 50 5.888 4.619 -9.895 1.00 0.00 C ATOM 734 CG GLU A 50 6.753 5.820 -9.551 1.00 0.00 C ATOM 735 CD GLU A 50 7.171 6.608 -10.777 1.00 0.00 C ATOM 736 OE1 GLU A 50 6.292 6.931 -11.604 1.00 0.00 O ATOM 737 OE2 GLU A 50 8.377 6.904 -10.910 1.00 0.00 O ATOM 0 H GLU A 50 4.791 2.554 -10.798 1.00 0.00 H new ATOM 0 HA GLU A 50 7.299 3.889 -11.343 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.084 4.939 -10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.420 4.246 -8.984 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.206 6.474 -8.872 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.643 5.482 -9.020 1.00 0.00 H new ATOM 744 N GLU A 51 6.922 2.311 -8.452 1.00 0.00 N ATOM 745 CA GLU A 51 7.650 1.622 -7.393 1.00 0.00 C ATOM 746 C GLU A 51 6.766 0.580 -6.714 1.00 0.00 C ATOM 747 O GLU A 51 5.638 0.336 -7.140 1.00 0.00 O ATOM 748 CB GLU A 51 8.161 2.626 -6.358 1.00 0.00 C ATOM 749 CG GLU A 51 9.100 3.672 -6.935 1.00 0.00 C ATOM 750 CD GLU A 51 10.387 3.070 -7.466 1.00 0.00 C ATOM 751 OE1 GLU A 51 10.831 2.040 -6.918 1.00 0.00 O ATOM 752 OE2 GLU A 51 10.949 3.631 -8.430 1.00 0.00 O ATOM 0 H GLU A 51 5.919 2.399 -8.287 1.00 0.00 H new ATOM 0 HA GLU A 51 8.501 1.112 -7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.309 3.128 -5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.677 2.086 -5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.594 4.205 -7.739 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.337 4.406 -6.165 1.00 0.00 H new ATOM 759 N GLN A 52 7.289 -0.032 -5.656 1.00 0.00 N ATOM 760 CA GLN A 52 6.548 -1.049 -4.919 1.00 0.00 C ATOM 761 C GLN A 52 6.631 -0.801 -3.417 1.00 0.00 C ATOM 762 O GLN A 52 7.680 -0.422 -2.897 1.00 0.00 O ATOM 763 CB GLN A 52 7.087 -2.442 -5.248 1.00 0.00 C ATOM 764 CG GLN A 52 7.314 -2.671 -6.734 1.00 0.00 C ATOM 765 CD GLN A 52 7.760 -4.086 -7.045 1.00 0.00 C ATOM 766 OE1 GLN A 52 7.569 -5.000 -6.242 1.00 0.00 O ATOM 767 NE2 GLN A 52 8.359 -4.275 -8.215 1.00 0.00 N ATOM 0 H GLN A 52 8.222 0.159 -5.290 1.00 0.00 H new ATOM 0 HA GLN A 52 5.502 -0.991 -5.221 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.027 -2.593 -4.718 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.387 -3.190 -4.876 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.393 -2.457 -7.276 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.066 -1.969 -7.095 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.497 -3.489 -8.850 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.681 -5.206 -8.478 1.00 0.00 H new ATOM 776 N GLY A 53 5.517 -1.017 -2.723 1.00 0.00 N ATOM 777 CA GLY A 53 5.485 -0.811 -1.287 1.00 0.00 C ATOM 778 C GLY A 53 4.346 -1.556 -0.620 1.00 0.00 C ATOM 779 O GLY A 53 3.770 -2.473 -1.203 1.00 0.00 O ATOM 0 H GLY A 53 4.636 -1.331 -3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.431 -1.138 -0.855 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.390 0.255 -1.078 1.00 0.00 H new ATOM 783 N TRP A 54 4.023 -1.162 0.607 1.00 0.00 N ATOM 784 CA TRP A 54 2.946 -1.800 1.355 1.00 0.00 C ATOM 785 C TRP A 54 1.832 -0.805 1.662 1.00 0.00 C ATOM 786 O TRP A 54 2.092 0.363 1.951 1.00 0.00 O ATOM 787 CB TRP A 54 3.485 -2.398 2.655 1.00 0.00 C ATOM 788 CG TRP A 54 4.614 -3.361 2.443 1.00 0.00 C ATOM 789 CD1 TRP A 54 5.903 -3.053 2.113 1.00 0.00 C ATOM 790 CD2 TRP A 54 4.554 -4.788 2.544 1.00 0.00 C ATOM 791 NE1 TRP A 54 6.648 -4.202 2.004 1.00 0.00 N ATOM 792 CE2 TRP A 54 5.843 -5.280 2.264 1.00 0.00 C ATOM 793 CE3 TRP A 54 3.537 -5.697 2.846 1.00 0.00 C ATOM 794 CZ2 TRP A 54 6.139 -6.640 2.276 1.00 0.00 C ATOM 795 CZ3 TRP A 54 3.832 -7.047 2.858 1.00 0.00 C ATOM 796 CH2 TRP A 54 5.125 -7.508 2.575 1.00 0.00 C ATOM 0 H TRP A 54 4.491 -0.404 1.104 1.00 0.00 H new ATOM 0 HA TRP A 54 2.534 -2.599 0.739 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.823 -1.591 3.305 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.674 -2.908 3.175 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.281 -2.053 1.960 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.639 -4.246 1.768 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.538 -5.351 3.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 7.134 -6.997 2.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.053 -7.759 3.089 1.00 0.00 H new ATOM 0 HH2 TRP A 54 5.325 -8.569 2.593 1.00 0.00 H new ATOM 807 N VAL A 55 0.590 -1.275 1.597 1.00 0.00 N ATOM 808 CA VAL A 55 -0.564 -0.426 1.870 1.00 0.00 C ATOM 809 C VAL A 55 -1.738 -1.246 2.394 1.00 0.00 C ATOM 810 O VAL A 55 -1.843 -2.449 2.154 1.00 0.00 O ATOM 811 CB VAL A 55 -1.008 0.339 0.609 1.00 0.00 C ATOM 812 CG1 VAL A 55 -0.086 1.520 0.348 1.00 0.00 C ATOM 813 CG2 VAL A 55 -1.047 -0.593 -0.593 1.00 0.00 C ATOM 0 H VAL A 55 0.357 -2.239 1.358 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.257 0.291 2.632 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.014 0.724 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.416 2.048 -0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.114 2.198 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.933 1.161 0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.363 -0.036 -1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.054 -1.009 -0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.752 -1.402 -0.403 1.00 0.00 H new ATOM 823 N PRO A 56 -2.643 -0.581 3.127 1.00 0.00 N ATOM 824 CA PRO A 56 -3.827 -1.228 3.700 1.00 0.00 C ATOM 825 C PRO A 56 -4.841 -1.630 2.634 1.00 0.00 C ATOM 826 O PRO A 56 -5.176 -0.838 1.753 1.00 0.00 O ATOM 827 CB PRO A 56 -4.413 -0.150 4.615 1.00 0.00 C ATOM 828 CG PRO A 56 -3.937 1.138 4.036 1.00 0.00 C ATOM 829 CD PRO A 56 -2.581 0.854 3.453 1.00 0.00 C ATOM 0 HA PRO A 56 -3.575 -2.154 4.217 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.502 -0.197 4.635 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.070 -0.273 5.642 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.623 1.499 3.270 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.878 1.912 4.801 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.390 1.459 2.567 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.784 1.070 4.165 1.00 0.00 H new ATOM 837 N ALA A 57 -5.326 -2.864 2.720 1.00 0.00 N ATOM 838 CA ALA A 57 -6.303 -3.370 1.764 1.00 0.00 C ATOM 839 C ALA A 57 -7.509 -2.442 1.670 1.00 0.00 C ATOM 840 O ALA A 57 -8.172 -2.371 0.634 1.00 0.00 O ATOM 841 CB ALA A 57 -6.744 -4.773 2.153 1.00 0.00 C ATOM 0 H ALA A 57 -5.058 -3.532 3.443 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.829 -3.409 0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.474 -5.139 1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.879 -5.437 2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.195 -4.751 3.145 1.00 0.00 H new ATOM 847 N THR A 58 -7.790 -1.731 2.758 1.00 0.00 N ATOM 848 CA THR A 58 -8.917 -0.808 2.798 1.00 0.00 C ATOM 849 C THR A 58 -8.828 0.219 1.675 1.00 0.00 C ATOM 850 O THR A 58 -9.841 0.768 1.240 1.00 0.00 O ATOM 851 CB THR A 58 -8.992 -0.070 4.148 1.00 0.00 C ATOM 852 OG1 THR A 58 -7.712 0.482 4.476 1.00 0.00 O ATOM 853 CG2 THR A 58 -9.442 -1.012 5.255 1.00 0.00 C ATOM 0 H THR A 58 -7.252 -1.777 3.623 1.00 0.00 H new ATOM 0 HA THR A 58 -9.819 -1.406 2.669 1.00 0.00 H new ATOM 0 HB THR A 58 -9.722 0.734 4.058 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.768 0.951 5.335 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.488 -0.469 6.199 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.429 -1.409 5.017 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.732 -1.835 5.344 1.00 0.00 H new ATOM 861 N TYR A 59 -7.611 0.474 1.208 1.00 0.00 N ATOM 862 CA TYR A 59 -7.389 1.437 0.136 1.00 0.00 C ATOM 863 C TYR A 59 -7.288 0.735 -1.214 1.00 0.00 C ATOM 864 O TYR A 59 -6.648 1.235 -2.141 1.00 0.00 O ATOM 865 CB TYR A 59 -6.117 2.243 0.401 1.00 0.00 C ATOM 866 CG TYR A 59 -6.306 3.362 1.400 1.00 0.00 C ATOM 867 CD1 TYR A 59 -6.637 3.092 2.722 1.00 0.00 C ATOM 868 CD2 TYR A 59 -6.153 4.691 1.022 1.00 0.00 C ATOM 869 CE1 TYR A 59 -6.812 4.111 3.638 1.00 0.00 C ATOM 870 CE2 TYR A 59 -6.325 5.717 1.931 1.00 0.00 C ATOM 871 CZ TYR A 59 -6.654 5.422 3.238 1.00 0.00 C ATOM 872 OH TYR A 59 -6.826 6.440 4.147 1.00 0.00 O ATOM 0 H TYR A 59 -6.763 0.027 1.555 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.242 2.116 0.109 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.340 1.570 0.764 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.761 2.663 -0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.760 2.067 3.039 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.895 4.926 -0.000 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.071 3.883 4.661 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.203 6.744 1.620 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.678 7.302 3.705 1.00 0.00 H new ATOM 882 N LEU A 60 -7.923 -0.427 -1.318 1.00 0.00 N ATOM 883 CA LEU A 60 -7.906 -1.200 -2.556 1.00 0.00 C ATOM 884 C LEU A 60 -9.274 -1.816 -2.832 1.00 0.00 C ATOM 885 O LEU A 60 -9.975 -2.231 -1.910 1.00 0.00 O ATOM 886 CB LEU A 60 -6.845 -2.300 -2.479 1.00 0.00 C ATOM 887 CG LEU A 60 -5.426 -1.841 -2.141 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.490 -3.035 -2.033 1.00 0.00 C ATOM 889 CD2 LEU A 60 -4.920 -0.858 -3.187 1.00 0.00 C ATOM 0 H LEU A 60 -8.456 -0.855 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.661 -0.523 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.158 -3.027 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.819 -2.820 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.449 -1.335 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.485 -2.689 -1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.842 -3.703 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.472 -3.570 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.909 -0.542 -2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.913 -1.339 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.576 0.012 -3.216 1.00 0.00 H new ATOM 901 N GLU A 61 -9.644 -1.874 -4.107 1.00 0.00 N ATOM 902 CA GLU A 61 -10.928 -2.441 -4.504 1.00 0.00 C ATOM 903 C GLU A 61 -10.741 -3.519 -5.567 1.00 0.00 C ATOM 904 O GLU A 61 -10.380 -3.226 -6.707 1.00 0.00 O ATOM 905 CB GLU A 61 -11.854 -1.343 -5.032 1.00 0.00 C ATOM 906 CG GLU A 61 -13.310 -1.768 -5.127 1.00 0.00 C ATOM 907 CD GLU A 61 -14.268 -0.599 -5.011 1.00 0.00 C ATOM 908 OE1 GLU A 61 -14.449 0.122 -6.015 1.00 0.00 O ATOM 909 OE2 GLU A 61 -14.837 -0.406 -3.917 1.00 0.00 O ATOM 0 H GLU A 61 -9.074 -1.536 -4.882 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.382 -2.897 -3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.780 -0.473 -4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.510 -1.032 -6.019 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.475 -2.275 -6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.526 -2.489 -4.339 1.00 0.00 H new ATOM 916 N ALA A 62 -10.990 -4.767 -5.186 1.00 0.00 N ATOM 917 CA ALA A 62 -10.851 -5.889 -6.106 1.00 0.00 C ATOM 918 C ALA A 62 -11.625 -5.640 -7.396 1.00 0.00 C ATOM 919 O ALA A 62 -12.853 -5.725 -7.420 1.00 0.00 O ATOM 920 CB ALA A 62 -11.323 -7.176 -5.445 1.00 0.00 C ATOM 0 H ALA A 62 -11.289 -5.027 -4.246 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.796 -5.990 -6.360 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.213 -8.005 -6.144 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.723 -7.369 -4.555 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.371 -7.076 -5.162 1.00 0.00 H new ATOM 926 N GLN A 63 -10.900 -5.332 -8.466 1.00 0.00 N ATOM 927 CA GLN A 63 -11.520 -5.069 -9.760 1.00 0.00 C ATOM 928 C GLN A 63 -12.460 -6.204 -10.153 1.00 0.00 C ATOM 929 O GLN A 63 -13.680 -6.050 -10.125 1.00 0.00 O ATOM 930 CB GLN A 63 -10.448 -4.883 -10.834 1.00 0.00 C ATOM 931 CG GLN A 63 -9.889 -3.470 -10.898 1.00 0.00 C ATOM 932 CD GLN A 63 -9.110 -3.208 -12.172 1.00 0.00 C ATOM 933 OE1 GLN A 63 -9.691 -2.935 -13.223 1.00 0.00 O ATOM 934 NE2 GLN A 63 -7.787 -3.289 -12.085 1.00 0.00 N ATOM 0 H GLN A 63 -9.883 -5.258 -8.463 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.103 -4.152 -9.676 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.631 -5.580 -10.645 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.870 -5.142 -11.805 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -10.709 -2.755 -10.824 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.240 -3.301 -10.039 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.348 -3.518 -11.193 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.210 -3.122 -12.910 1.00 0.00 H new ATOM 943 N ASN A 64 -11.882 -7.343 -10.520 1.00 0.00 N ATOM 944 CA ASN A 64 -12.669 -8.504 -10.920 1.00 0.00 C ATOM 945 C ASN A 64 -13.590 -8.161 -12.088 1.00 0.00 C ATOM 946 O ASN A 64 -14.752 -8.565 -12.114 1.00 0.00 O ATOM 947 CB ASN A 64 -13.494 -9.019 -9.739 1.00 0.00 C ATOM 948 CG ASN A 64 -13.916 -10.465 -9.915 1.00 0.00 C ATOM 949 OD1 ASN A 64 -13.097 -11.379 -9.812 1.00 0.00 O ATOM 950 ND2 ASN A 64 -15.199 -10.679 -10.182 1.00 0.00 N ATOM 0 H ASN A 64 -10.873 -7.487 -10.549 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.980 -9.285 -11.241 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -12.911 -8.922 -8.823 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -14.381 -8.397 -9.620 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -15.541 -11.631 -10.311 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.842 -9.891 -10.258 1.00 0.00 H new ATOM 957 N SER A 65 -13.061 -7.414 -13.051 1.00 0.00 N ATOM 958 CA SER A 65 -13.836 -7.014 -14.220 1.00 0.00 C ATOM 959 C SER A 65 -14.200 -8.226 -15.071 1.00 0.00 C ATOM 960 O SER A 65 -13.333 -8.862 -15.670 1.00 0.00 O ATOM 961 CB SER A 65 -13.048 -6.005 -15.059 1.00 0.00 C ATOM 962 OG SER A 65 -13.517 -5.978 -16.396 1.00 0.00 O ATOM 0 H SER A 65 -12.100 -7.073 -13.045 1.00 0.00 H new ATOM 0 HA SER A 65 -14.757 -6.546 -13.872 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.138 -5.012 -14.619 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.989 -6.265 -15.047 1.00 0.00 H new ATOM 0 HG SER A 65 -12.999 -5.325 -16.911 1.00 0.00 H new ATOM 968 N GLY A 66 -15.491 -8.541 -15.120 1.00 0.00 N ATOM 969 CA GLY A 66 -15.949 -9.676 -15.900 1.00 0.00 C ATOM 970 C GLY A 66 -17.187 -10.323 -15.310 1.00 0.00 C ATOM 971 O GLY A 66 -17.140 -11.433 -14.780 1.00 0.00 O ATOM 0 H GLY A 66 -16.228 -8.030 -14.633 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.163 -9.351 -16.918 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.151 -10.416 -15.963 1.00 0.00 H new ATOM 975 N PRO A 67 -18.326 -9.620 -15.398 1.00 0.00 N ATOM 976 CA PRO A 67 -19.602 -10.113 -14.872 1.00 0.00 C ATOM 977 C PRO A 67 -20.148 -11.284 -15.682 1.00 0.00 C ATOM 978 O PRO A 67 -20.774 -12.191 -15.134 1.00 0.00 O ATOM 979 CB PRO A 67 -20.528 -8.900 -14.995 1.00 0.00 C ATOM 980 CG PRO A 67 -19.943 -8.086 -16.097 1.00 0.00 C ATOM 981 CD PRO A 67 -18.455 -8.290 -16.016 1.00 0.00 C ATOM 0 HA PRO A 67 -19.505 -10.491 -13.854 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -21.549 -9.203 -15.226 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -20.566 -8.335 -14.063 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -20.329 -8.405 -17.065 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -20.200 -7.033 -15.983 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -17.991 -8.258 -17.002 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -17.976 -7.519 -15.413 1.00 0.00 H new ATOM 989 N SER A 68 -19.907 -11.258 -16.989 1.00 0.00 N ATOM 990 CA SER A 68 -20.378 -12.317 -17.874 1.00 0.00 C ATOM 991 C SER A 68 -19.299 -12.702 -18.881 1.00 0.00 C ATOM 992 O SER A 68 -18.687 -11.841 -19.513 1.00 0.00 O ATOM 993 CB SER A 68 -21.642 -11.870 -18.610 1.00 0.00 C ATOM 994 OG SER A 68 -22.619 -11.392 -17.702 1.00 0.00 O ATOM 0 H SER A 68 -19.389 -10.515 -17.458 1.00 0.00 H new ATOM 0 HA SER A 68 -20.611 -13.190 -17.265 1.00 0.00 H new ATOM 0 HB2 SER A 68 -21.392 -11.087 -19.326 1.00 0.00 H new ATOM 0 HB3 SER A 68 -22.049 -12.705 -19.180 1.00 0.00 H new ATOM 0 HG SER A 68 -23.416 -11.111 -18.198 1.00 0.00 H new ATOM 1000 N SER A 69 -19.071 -14.004 -19.026 1.00 0.00 N ATOM 1001 CA SER A 69 -18.063 -14.505 -19.953 1.00 0.00 C ATOM 1002 C SER A 69 -18.627 -14.603 -21.368 1.00 0.00 C ATOM 1003 O SER A 69 -19.724 -15.120 -21.576 1.00 0.00 O ATOM 1004 CB SER A 69 -17.557 -15.876 -19.498 1.00 0.00 C ATOM 1005 OG SER A 69 -17.078 -15.825 -18.166 1.00 0.00 O ATOM 0 H SER A 69 -19.571 -14.731 -18.513 1.00 0.00 H new ATOM 0 HA SER A 69 -17.230 -13.802 -19.960 1.00 0.00 H new ATOM 0 HB2 SER A 69 -18.362 -16.607 -19.571 1.00 0.00 H new ATOM 0 HB3 SER A 69 -16.760 -16.212 -20.162 1.00 0.00 H new ATOM 0 HG SER A 69 -16.762 -16.713 -17.898 1.00 0.00 H new ATOM 1011 N GLY A 70 -17.868 -14.101 -22.337 1.00 0.00 N ATOM 1012 CA GLY A 70 -18.307 -14.141 -23.719 1.00 0.00 C ATOM 1013 C GLY A 70 -18.108 -12.816 -24.429 1.00 0.00 C ATOM 1014 O GLY A 70 -17.043 -12.208 -24.334 1.00 0.00 O ATOM 0 H GLY A 70 -16.957 -13.667 -22.189 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -17.758 -14.920 -24.249 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -19.362 -14.414 -23.754 1.00 0.00 H new TER 1018 GLY A 70