USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 ASN : amide:sc= -0.104 K(o=-0.024,f=-1) USER MOD Set 1.2: A 56 TYR OH : rot 109:sc= 0.0797 USER MOD Set 2.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 81 THR OG1 : rot 84:sc= 1.55 USER MOD Set 3.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 15 GLN : amide:sc= -0.447 X(o=-0.45,f=0.022) USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0.188 USER MOD Set 4.2: A 10 ASN : amide:sc= 0.156 X(o=0.34,f=-0.048) USER MOD Single : A 2 SER OG : rot -28:sc= 0.067 USER MOD Single : A 4 THR OG1 : rot -57:sc= 0.558 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot -30:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.565 X(o=-0.57,f=-0.49) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 29 ASN : amide:sc=-0.00912 X(o=-0.0091,f=-0.34) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 41:sc= 0.242 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -38:sc= 0.334 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -1.45 X(o=-1.5,f=-1.1) USER MOD Single : A 41 THR OG1 : rot 28:sc=0.000547 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.025) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.35 K(o=-1.3,f=-5.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 59:sc= 0.11 USER MOD Single : A 67 TYR OH : rot -17:sc= 0.578 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc=-0.00686 K(o=-0.0069,f=-1.5) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.144 USER MOD Single : A 90 THR OG1 : rot 137:sc= 0.0838 USER MOD Single : A 91 HIS : no HD1:sc= -3.24 X(o=-3.2,f=-3.7!) USER MOD Single : A 92 THR OG1 : rot 150:sc= 0 USER MOD Single : A 95 SER OG : rot -53:sc= 0.199 USER MOD Single : A 97 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.2) USER MOD Single : A 98 ASN : amide:sc= 0.076 X(o=0.076,f=0) USER MOD Single : A 103 SER OG : rot -61:sc= 0.136 USER MOD Single : A 105 THR OG1 : rot 98:sc= 0.865 USER MOD Single : A 106 ASN : amide:sc= -0.15 K(o=-0.15,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 5.931 11.371 -6.172 1.00 0.00 N ATOM 16 CA SER A 2 7.357 11.135 -6.017 1.00 0.00 C ATOM 17 C SER A 2 8.071 12.462 -5.755 1.00 0.00 C ATOM 18 O SER A 2 9.092 12.761 -6.374 1.00 0.00 O ATOM 19 CB SER A 2 7.864 10.442 -7.280 1.00 0.00 C ATOM 20 OG SER A 2 7.688 11.265 -8.415 1.00 0.00 O ATOM 0 HA SER A 2 7.561 10.489 -5.163 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.920 10.196 -7.165 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.331 9.502 -7.422 1.00 0.00 H new ATOM 0 HG SER A 2 6.920 11.857 -8.274 1.00 0.00 H new ATOM 26 N ALA A 3 7.505 13.248 -4.831 1.00 0.00 N ATOM 27 CA ALA A 3 7.966 14.564 -4.402 1.00 0.00 C ATOM 28 C ALA A 3 7.831 15.601 -5.517 1.00 0.00 C ATOM 29 O ALA A 3 7.652 15.256 -6.686 1.00 0.00 O ATOM 30 CB ALA A 3 9.393 14.502 -3.842 1.00 0.00 C ATOM 0 H ALA A 3 6.661 12.960 -4.336 1.00 0.00 H new ATOM 0 HA ALA A 3 7.317 14.890 -3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.706 15.499 -3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.418 13.830 -2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.070 14.133 -4.612 1.00 0.00 H new ATOM 36 N THR A 4 7.905 16.886 -5.149 1.00 0.00 N ATOM 37 CA THR A 4 7.809 17.981 -6.098 1.00 0.00 C ATOM 38 C THR A 4 8.492 19.226 -5.523 1.00 0.00 C ATOM 39 O THR A 4 8.213 19.619 -4.391 1.00 0.00 O ATOM 40 CB THR A 4 6.336 18.196 -6.508 1.00 0.00 C ATOM 41 OG1 THR A 4 6.277 18.984 -7.663 1.00 0.00 O ATOM 42 CG2 THR A 4 5.468 18.878 -5.454 1.00 0.00 C ATOM 0 H THR A 4 8.033 17.187 -4.183 1.00 0.00 H new ATOM 0 HA THR A 4 8.342 17.742 -7.018 1.00 0.00 H new ATOM 0 HB THR A 4 5.940 17.192 -6.659 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.729 19.838 -7.500 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.452 18.985 -5.833 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.455 18.274 -4.547 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.877 19.863 -5.228 1.00 0.00 H new ATOM 50 N THR A 5 9.401 19.838 -6.295 1.00 0.00 N ATOM 51 CA THR A 5 10.129 21.033 -5.933 1.00 0.00 C ATOM 52 C THR A 5 9.596 22.134 -6.848 1.00 0.00 C ATOM 53 O THR A 5 9.751 22.074 -8.069 1.00 0.00 O ATOM 54 CB THR A 5 11.631 20.736 -6.068 1.00 0.00 C ATOM 55 OG1 THR A 5 12.130 20.311 -4.817 1.00 0.00 O ATOM 56 CG2 THR A 5 12.427 21.939 -6.558 1.00 0.00 C ATOM 0 H THR A 5 9.649 19.490 -7.221 1.00 0.00 H new ATOM 0 HA THR A 5 9.992 21.362 -4.903 1.00 0.00 H new ATOM 0 HB THR A 5 11.747 19.953 -6.817 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.088 20.118 -4.895 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.481 21.671 -6.634 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.058 22.245 -7.537 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.312 22.763 -5.853 1.00 0.00 H new ATOM 64 N CYS A 6 8.950 23.133 -6.235 1.00 0.00 N ATOM 65 CA CYS A 6 8.339 24.279 -6.890 1.00 0.00 C ATOM 66 C CYS A 6 9.292 25.461 -6.731 1.00 0.00 C ATOM 67 O CYS A 6 9.040 26.380 -5.952 1.00 0.00 O ATOM 68 CB CYS A 6 6.957 24.514 -6.255 1.00 0.00 C ATOM 69 SG CYS A 6 5.584 23.447 -6.812 1.00 0.00 S ATOM 0 H CYS A 6 8.838 23.159 -5.222 1.00 0.00 H new ATOM 0 HA CYS A 6 8.178 24.126 -7.957 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.058 24.397 -5.176 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.674 25.550 -6.438 1.00 0.00 H new ATOM 74 N GLY A 7 10.400 25.408 -7.482 1.00 0.00 N ATOM 75 CA GLY A 7 11.445 26.417 -7.474 1.00 0.00 C ATOM 76 C GLY A 7 12.276 26.279 -6.204 1.00 0.00 C ATOM 77 O GLY A 7 13.256 25.536 -6.185 1.00 0.00 O ATOM 0 H GLY A 7 10.591 24.639 -8.125 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.081 26.304 -8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.004 27.413 -7.526 1.00 0.00 H new ATOM 81 N SER A 8 11.869 26.999 -5.152 1.00 0.00 N ATOM 82 CA SER A 8 12.508 27.004 -3.844 1.00 0.00 C ATOM 83 C SER A 8 11.657 26.234 -2.831 1.00 0.00 C ATOM 84 O SER A 8 12.206 25.545 -1.973 1.00 0.00 O ATOM 85 CB SER A 8 12.723 28.452 -3.394 1.00 0.00 C ATOM 86 OG SER A 8 13.417 28.485 -2.164 1.00 0.00 O ATOM 0 H SER A 8 11.056 27.614 -5.197 1.00 0.00 H new ATOM 0 HA SER A 8 13.476 26.507 -3.909 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.287 28.996 -4.152 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.761 28.954 -3.290 1.00 0.00 H new ATOM 0 HG SER A 8 13.549 29.416 -1.888 1.00 0.00 H new ATOM 92 N THR A 9 10.323 26.342 -2.932 1.00 0.00 N ATOM 93 CA THR A 9 9.391 25.683 -2.030 1.00 0.00 C ATOM 94 C THR A 9 9.382 24.176 -2.296 1.00 0.00 C ATOM 95 O THR A 9 8.933 23.733 -3.351 1.00 0.00 O ATOM 96 CB THR A 9 7.989 26.290 -2.187 1.00 0.00 C ATOM 97 OG1 THR A 9 8.048 27.700 -2.104 1.00 0.00 O ATOM 98 CG2 THR A 9 7.064 25.778 -1.080 1.00 0.00 C ATOM 0 H THR A 9 9.865 26.898 -3.654 1.00 0.00 H new ATOM 0 HA THR A 9 9.711 25.840 -1.000 1.00 0.00 H new ATOM 0 HB THR A 9 7.602 25.995 -3.162 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.147 28.072 -2.208 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.073 26.216 -1.202 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.991 24.692 -1.140 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.468 26.061 -0.108 1.00 0.00 H new ATOM 106 N ASN A 10 9.870 23.393 -1.325 1.00 0.00 N ATOM 107 CA ASN A 10 9.953 21.943 -1.411 1.00 0.00 C ATOM 108 C ASN A 10 8.701 21.292 -0.822 1.00 0.00 C ATOM 109 O ASN A 10 8.100 21.821 0.113 1.00 0.00 O ATOM 110 CB ASN A 10 11.207 21.467 -0.667 1.00 0.00 C ATOM 111 CG ASN A 10 11.358 19.948 -0.711 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.186 19.275 0.304 1.00 0.00 O ATOM 113 ND2 ASN A 10 11.674 19.403 -1.888 1.00 0.00 N ATOM 0 H ASN A 10 10.223 23.765 -0.443 1.00 0.00 H new ATOM 0 HA ASN A 10 10.019 21.649 -2.459 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.089 21.932 -1.109 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.159 21.796 0.371 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.781 18.392 -1.969 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.808 19.998 -2.706 1.00 0.00 H new ATOM 120 N TYR A 11 8.314 20.143 -1.392 1.00 0.00 N ATOM 121 CA TYR A 11 7.172 19.352 -0.969 1.00 0.00 C ATOM 122 C TYR A 11 7.539 17.873 -1.092 1.00 0.00 C ATOM 123 O TYR A 11 7.901 17.406 -2.171 1.00 0.00 O ATOM 124 CB TYR A 11 5.947 19.661 -1.832 1.00 0.00 C ATOM 125 CG TYR A 11 5.384 21.061 -1.711 1.00 0.00 C ATOM 126 CD1 TYR A 11 4.645 21.415 -0.570 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.586 22.004 -2.737 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.107 22.706 -0.453 1.00 0.00 C ATOM 129 CE2 TYR A 11 5.045 23.294 -2.620 1.00 0.00 C ATOM 130 CZ TYR A 11 4.297 23.643 -1.482 1.00 0.00 C ATOM 131 OH TYR A 11 3.761 24.892 -1.369 1.00 0.00 O ATOM 0 H TYR A 11 8.809 19.734 -2.184 1.00 0.00 H new ATOM 0 HA TYR A 11 6.923 19.596 0.064 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.209 19.485 -2.875 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.160 18.951 -1.577 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.491 20.693 0.218 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.157 21.735 -3.613 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.547 22.979 0.429 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.204 24.019 -3.405 1.00 0.00 H new ATOM 0 HH TYR A 11 2.940 24.849 -0.835 1.00 0.00 H new ATOM 141 N SER A 12 7.447 17.150 0.028 1.00 0.00 N ATOM 142 CA SER A 12 7.724 15.728 0.138 1.00 0.00 C ATOM 143 C SER A 12 6.661 14.932 -0.587 1.00 0.00 C ATOM 144 O SER A 12 5.546 15.410 -0.781 1.00 0.00 O ATOM 145 CB SER A 12 7.767 15.342 1.618 1.00 0.00 C ATOM 146 OG SER A 12 8.818 16.022 2.268 1.00 0.00 O ATOM 0 H SER A 12 7.165 17.564 0.916 1.00 0.00 H new ATOM 0 HA SER A 12 8.687 15.505 -0.321 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.817 15.587 2.093 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.905 14.265 1.717 1.00 0.00 H new ATOM 0 HG SER A 12 8.835 15.769 3.215 1.00 0.00 H new ATOM 152 N ALA A 13 7.024 13.711 -0.999 1.00 0.00 N ATOM 153 CA ALA A 13 6.091 12.811 -1.652 1.00 0.00 C ATOM 154 C ALA A 13 4.937 12.550 -0.678 1.00 0.00 C ATOM 155 O ALA A 13 3.862 12.125 -1.096 1.00 0.00 O ATOM 156 CB ALA A 13 6.803 11.502 -2.003 1.00 0.00 C ATOM 0 H ALA A 13 7.964 13.331 -0.887 1.00 0.00 H new ATOM 0 HA ALA A 13 5.709 13.248 -2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.102 10.827 -2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.636 11.710 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.178 11.036 -1.092 1.00 0.00 H new ATOM 162 N SER A 14 5.170 12.823 0.618 1.00 0.00 N ATOM 163 CA SER A 14 4.175 12.653 1.664 1.00 0.00 C ATOM 164 C SER A 14 3.194 13.827 1.613 1.00 0.00 C ATOM 165 O SER A 14 1.997 13.624 1.788 1.00 0.00 O ATOM 166 CB SER A 14 4.851 12.524 3.034 1.00 0.00 C ATOM 167 OG SER A 14 5.567 13.690 3.375 1.00 0.00 O ATOM 0 H SER A 14 6.066 13.170 0.960 1.00 0.00 H new ATOM 0 HA SER A 14 3.616 11.731 1.502 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.096 12.325 3.795 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.529 11.670 3.026 1.00 0.00 H new ATOM 0 HG SER A 14 5.983 13.573 4.254 1.00 0.00 H new ATOM 173 N GLN A 15 3.695 15.047 1.363 1.00 0.00 N ATOM 174 CA GLN A 15 2.894 16.259 1.270 1.00 0.00 C ATOM 175 C GLN A 15 2.005 16.247 0.029 1.00 0.00 C ATOM 176 O GLN A 15 0.826 16.573 0.121 1.00 0.00 O ATOM 177 CB GLN A 15 3.788 17.505 1.321 1.00 0.00 C ATOM 178 CG GLN A 15 4.421 17.661 2.710 1.00 0.00 C ATOM 179 CD GLN A 15 5.330 18.886 2.787 1.00 0.00 C ATOM 180 OE1 GLN A 15 4.852 20.018 2.763 1.00 0.00 O ATOM 181 NE2 GLN A 15 6.644 18.667 2.891 1.00 0.00 N ATOM 0 H GLN A 15 4.691 15.213 1.218 1.00 0.00 H new ATOM 0 HA GLN A 15 2.230 16.293 2.134 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.570 17.429 0.566 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.200 18.391 1.082 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.635 17.745 3.460 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.996 16.767 2.950 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.002 17.712 2.908 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.289 19.455 2.954 1.00 0.00 H new ATOM 190 N VAL A 16 2.569 15.878 -1.122 1.00 0.00 N ATOM 191 CA VAL A 16 1.858 15.793 -2.395 1.00 0.00 C ATOM 192 C VAL A 16 0.721 14.786 -2.269 1.00 0.00 C ATOM 193 O VAL A 16 -0.415 15.091 -2.619 1.00 0.00 O ATOM 194 CB VAL A 16 2.793 15.369 -3.542 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.045 15.340 -4.880 1.00 0.00 C ATOM 196 CG2 VAL A 16 3.939 16.369 -3.665 1.00 0.00 C ATOM 0 H VAL A 16 3.554 15.625 -1.195 1.00 0.00 H new ATOM 0 HA VAL A 16 1.466 16.782 -2.631 1.00 0.00 H new ATOM 0 HB VAL A 16 3.169 14.372 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.729 15.037 -5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.221 14.629 -4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.652 16.333 -5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.600 16.067 -4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.536 17.360 -3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.501 16.395 -2.731 1.00 0.00 H new ATOM 206 N ARG A 17 1.045 13.595 -1.752 1.00 0.00 N ATOM 207 CA ARG A 17 0.102 12.504 -1.576 1.00 0.00 C ATOM 208 C ARG A 17 -0.999 12.873 -0.587 1.00 0.00 C ATOM 209 O ARG A 17 -2.170 12.652 -0.877 1.00 0.00 O ATOM 210 CB ARG A 17 0.853 11.261 -1.084 1.00 0.00 C ATOM 211 CG ARG A 17 -0.035 10.011 -1.016 1.00 0.00 C ATOM 212 CD ARG A 17 0.630 8.908 -0.188 1.00 0.00 C ATOM 213 NE ARG A 17 1.990 8.611 -0.655 1.00 0.00 N ATOM 214 CZ ARG A 17 2.860 7.820 -0.008 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.515 7.191 1.126 1.00 0.00 N ATOM 216 NH2 ARG A 17 4.094 7.659 -0.501 1.00 0.00 N ATOM 0 H ARG A 17 1.989 13.367 -1.441 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.370 12.298 -2.536 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.695 11.066 -1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.266 11.461 -0.095 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.999 10.269 -0.577 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.232 9.645 -2.024 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.665 9.212 0.858 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.024 8.003 -0.237 1.00 0.00 H new ATOM 0 HE ARG A 17 2.294 9.035 -1.531 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.578 7.310 1.510 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.190 6.594 1.604 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.366 8.135 -1.361 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.763 7.060 -0.017 1.00 0.00 H new ATOM 230 N ALA A 18 -0.626 13.445 0.564 1.00 0.00 N ATOM 231 CA ALA A 18 -1.561 13.812 1.624 1.00 0.00 C ATOM 232 C ALA A 18 -2.527 14.891 1.152 1.00 0.00 C ATOM 233 O ALA A 18 -3.748 14.741 1.256 1.00 0.00 O ATOM 234 CB ALA A 18 -0.796 14.273 2.868 1.00 0.00 C ATOM 0 H ALA A 18 0.345 13.667 0.784 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.148 12.931 1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.504 14.544 3.651 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.156 13.465 3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.183 15.139 2.618 1.00 0.00 H new ATOM 240 N ALA A 19 -1.960 15.977 0.618 1.00 0.00 N ATOM 241 CA ALA A 19 -2.720 17.097 0.102 1.00 0.00 C ATOM 242 C ALA A 19 -3.653 16.574 -0.992 1.00 0.00 C ATOM 243 O ALA A 19 -4.813 16.969 -1.049 1.00 0.00 O ATOM 244 CB ALA A 19 -1.767 18.203 -0.373 1.00 0.00 C ATOM 0 H ALA A 19 -0.950 16.095 0.535 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.339 17.553 0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.346 19.041 -0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.155 18.540 0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.122 17.814 -1.161 1.00 0.00 H new ATOM 250 N ALA A 20 -3.159 15.670 -1.851 1.00 0.00 N ATOM 251 CA ALA A 20 -3.960 15.091 -2.919 1.00 0.00 C ATOM 252 C ALA A 20 -5.043 14.149 -2.415 1.00 0.00 C ATOM 253 O ALA A 20 -6.071 14.023 -3.075 1.00 0.00 O ATOM 254 CB ALA A 20 -3.084 14.460 -4.004 1.00 0.00 C ATOM 0 H ALA A 20 -2.199 15.327 -1.819 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.496 15.918 -3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.718 14.038 -4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.435 15.222 -4.436 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.474 13.670 -3.566 1.00 0.00 H new ATOM 260 N ASN A 21 -4.836 13.480 -1.274 1.00 0.00 N ATOM 261 CA ASN A 21 -5.870 12.620 -0.717 1.00 0.00 C ATOM 262 C ASN A 21 -7.005 13.541 -0.252 1.00 0.00 C ATOM 263 O ASN A 21 -8.164 13.119 -0.210 1.00 0.00 O ATOM 264 CB ASN A 21 -5.351 11.783 0.463 1.00 0.00 C ATOM 265 CG ASN A 21 -4.266 10.775 0.090 1.00 0.00 C ATOM 266 OD1 ASN A 21 -3.301 10.610 0.834 1.00 0.00 O ATOM 267 ND2 ASN A 21 -4.412 10.089 -1.047 1.00 0.00 N ATOM 0 H ASN A 21 -3.974 13.520 -0.731 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.208 11.910 -1.472 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.959 12.456 1.226 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.189 11.248 0.910 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.710 9.402 -1.322 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.226 10.252 -1.640 1.00 0.00 H new ATOM 274 N ALA A 22 -6.670 14.805 0.077 1.00 0.00 N ATOM 275 CA ALA A 22 -7.661 15.762 0.546 1.00 0.00 C ATOM 276 C ALA A 22 -8.452 16.143 -0.697 1.00 0.00 C ATOM 277 O ALA A 22 -9.660 15.933 -0.737 1.00 0.00 O ATOM 278 CB ALA A 22 -7.012 16.955 1.253 1.00 0.00 C ATOM 0 H ALA A 22 -5.721 15.174 0.023 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.319 15.344 1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.787 17.645 1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.444 16.603 2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.343 17.468 0.562 1.00 0.00 H new ATOM 284 N ALA A 23 -7.749 16.692 -1.698 1.00 0.00 N ATOM 285 CA ALA A 23 -8.297 17.080 -2.998 1.00 0.00 C ATOM 286 C ALA A 23 -9.238 16.015 -3.569 1.00 0.00 C ATOM 287 O ALA A 23 -10.304 16.343 -4.076 1.00 0.00 O ATOM 288 CB ALA A 23 -7.148 17.272 -3.991 1.00 0.00 C ATOM 0 H ALA A 23 -6.750 16.883 -1.618 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.861 18.001 -2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.551 17.561 -4.962 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.480 18.053 -3.628 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.594 16.339 -4.091 1.00 0.00 H new ATOM 294 N CYS A 24 -8.833 14.742 -3.491 1.00 0.00 N ATOM 295 CA CYS A 24 -9.577 13.594 -3.988 1.00 0.00 C ATOM 296 C CYS A 24 -10.940 13.482 -3.300 1.00 0.00 C ATOM 297 O CYS A 24 -11.962 13.429 -3.981 1.00 0.00 O ATOM 298 CB CYS A 24 -8.717 12.334 -3.814 1.00 0.00 C ATOM 299 SG CYS A 24 -9.566 10.740 -3.971 1.00 0.00 S ATOM 0 H CYS A 24 -7.945 14.481 -3.063 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.790 13.717 -5.050 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.914 12.366 -4.551 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.249 12.375 -2.830 1.00 0.00 H new ATOM 304 N GLN A 25 -10.959 13.461 -1.961 1.00 0.00 N ATOM 305 CA GLN A 25 -12.196 13.346 -1.194 1.00 0.00 C ATOM 306 C GLN A 25 -13.097 14.585 -1.340 1.00 0.00 C ATOM 307 O GLN A 25 -14.308 14.456 -1.514 1.00 0.00 O ATOM 308 CB GLN A 25 -11.828 13.072 0.271 1.00 0.00 C ATOM 309 CG GLN A 25 -13.039 12.642 1.107 1.00 0.00 C ATOM 310 CD GLN A 25 -12.616 12.132 2.484 1.00 0.00 C ATOM 311 OE1 GLN A 25 -12.919 10.998 2.849 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.906 12.964 3.251 1.00 0.00 N ATOM 0 H GLN A 25 -10.119 13.523 -1.386 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.785 12.517 -1.587 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.067 12.293 0.312 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.389 13.970 0.707 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.720 13.485 1.223 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.587 11.860 0.581 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.675 13.898 2.912 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.595 12.665 4.176 1.00 0.00 H new ATOM 321 N TYR A 26 -12.495 15.779 -1.283 1.00 0.00 N ATOM 322 CA TYR A 26 -13.130 17.090 -1.369 1.00 0.00 C ATOM 323 C TYR A 26 -13.431 17.544 -2.799 1.00 0.00 C ATOM 324 O TYR A 26 -13.995 18.619 -2.957 1.00 0.00 O ATOM 325 CB TYR A 26 -12.175 18.110 -0.735 1.00 0.00 C ATOM 326 CG TYR A 26 -12.035 18.040 0.777 1.00 0.00 C ATOM 327 CD1 TYR A 26 -13.175 17.964 1.601 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.758 18.066 1.366 1.00 0.00 C ATOM 329 CE1 TYR A 26 -13.038 17.906 2.997 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.621 18.013 2.765 1.00 0.00 C ATOM 331 CZ TYR A 26 -11.761 17.932 3.581 1.00 0.00 C ATOM 332 OH TYR A 26 -11.624 17.887 4.938 1.00 0.00 O ATOM 0 H TYR A 26 -11.484 15.855 -1.168 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.088 17.020 -0.854 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.188 17.978 -1.178 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -12.514 19.111 -1.003 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -14.159 17.950 1.157 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -9.879 18.127 0.742 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.916 17.841 3.623 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.638 18.035 3.212 1.00 0.00 H new ATOM 0 HH TYR A 26 -10.673 17.913 5.172 1.00 0.00 H new ATOM 342 N TYR A 27 -13.068 16.783 -3.840 1.00 0.00 N ATOM 343 CA TYR A 27 -13.359 17.178 -5.222 1.00 0.00 C ATOM 344 C TYR A 27 -14.865 17.316 -5.436 1.00 0.00 C ATOM 345 O TYR A 27 -15.322 18.296 -6.022 1.00 0.00 O ATOM 346 CB TYR A 27 -12.748 16.201 -6.245 1.00 0.00 C ATOM 347 CG TYR A 27 -13.277 16.384 -7.664 1.00 0.00 C ATOM 348 CD1 TYR A 27 -14.479 15.743 -8.029 1.00 0.00 C ATOM 349 CD2 TYR A 27 -12.606 17.184 -8.616 1.00 0.00 C ATOM 350 CE1 TYR A 27 -15.013 15.901 -9.318 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.147 17.338 -9.905 1.00 0.00 C ATOM 352 CZ TYR A 27 -14.353 16.710 -10.255 1.00 0.00 C ATOM 353 OH TYR A 27 -14.877 16.873 -11.505 1.00 0.00 O ATOM 0 H TYR A 27 -12.575 15.895 -3.751 1.00 0.00 H new ATOM 0 HA TYR A 27 -12.892 18.149 -5.387 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.665 16.327 -6.252 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.948 15.179 -5.922 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.994 15.124 -7.309 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.681 17.676 -8.355 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.931 15.400 -9.588 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.630 17.945 -10.633 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.297 17.464 -12.028 1.00 0.00 H new ATOM 363 N GLN A 28 -15.617 16.327 -4.945 1.00 0.00 N ATOM 364 CA GLN A 28 -17.064 16.245 -5.059 1.00 0.00 C ATOM 365 C GLN A 28 -17.729 17.478 -4.450 1.00 0.00 C ATOM 366 O GLN A 28 -18.617 18.076 -5.053 1.00 0.00 O ATOM 367 CB GLN A 28 -17.550 14.979 -4.340 1.00 0.00 C ATOM 368 CG GLN A 28 -16.936 13.700 -4.926 1.00 0.00 C ATOM 369 CD GLN A 28 -17.460 12.443 -4.233 1.00 0.00 C ATOM 370 OE1 GLN A 28 -17.919 12.492 -3.093 1.00 0.00 O ATOM 371 NE2 GLN A 28 -17.388 11.303 -4.926 1.00 0.00 N ATOM 0 H GLN A 28 -15.215 15.537 -4.441 1.00 0.00 H new ATOM 0 HA GLN A 28 -17.335 16.202 -6.114 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -17.299 15.047 -3.281 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -18.636 14.921 -4.407 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -17.159 13.646 -5.992 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.851 13.742 -4.829 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -17.001 11.303 -5.870 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.721 10.432 -4.512 1.00 0.00 H new ATOM 380 N ASN A 29 -17.269 17.848 -3.252 1.00 0.00 N ATOM 381 CA ASN A 29 -17.767 18.972 -2.473 1.00 0.00 C ATOM 382 C ASN A 29 -17.130 20.312 -2.866 1.00 0.00 C ATOM 383 O ASN A 29 -17.673 21.358 -2.521 1.00 0.00 O ATOM 384 CB ASN A 29 -17.493 18.679 -0.991 1.00 0.00 C ATOM 385 CG ASN A 29 -17.856 17.250 -0.589 1.00 0.00 C ATOM 386 OD1 ASN A 29 -16.973 16.415 -0.404 1.00 0.00 O ATOM 387 ND2 ASN A 29 -19.153 16.968 -0.454 1.00 0.00 N ATOM 0 H ASN A 29 -16.511 17.351 -2.785 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.834 19.075 -2.671 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -16.438 18.853 -0.781 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -18.060 19.379 -0.377 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -19.445 16.028 -0.187 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -19.852 17.692 -0.618 1.00 0.00 H new ATOM 394 N ASP A 30 -15.998 20.280 -3.587 1.00 0.00 N ATOM 395 CA ASP A 30 -15.218 21.430 -4.030 1.00 0.00 C ATOM 396 C ASP A 30 -14.656 22.123 -2.787 1.00 0.00 C ATOM 397 O ASP A 30 -15.200 23.131 -2.348 1.00 0.00 O ATOM 398 CB ASP A 30 -16.037 22.353 -4.941 1.00 0.00 C ATOM 399 CG ASP A 30 -15.188 23.414 -5.645 1.00 0.00 C ATOM 400 OD1 ASP A 30 -14.409 24.101 -4.951 1.00 0.00 O ATOM 401 OD2 ASP A 30 -15.341 23.530 -6.880 1.00 0.00 O ATOM 0 H ASP A 30 -15.585 19.398 -3.890 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.382 21.113 -4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.550 21.751 -5.691 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -16.807 22.847 -4.349 1.00 0.00 H new ATOM 406 N ASP A 31 -13.573 21.554 -2.239 1.00 0.00 N ATOM 407 CA ASP A 31 -12.849 21.986 -1.039 1.00 0.00 C ATOM 408 C ASP A 31 -13.579 21.397 0.165 1.00 0.00 C ATOM 409 O ASP A 31 -14.355 20.456 -0.017 1.00 0.00 O ATOM 410 CB ASP A 31 -12.568 23.509 -1.039 1.00 0.00 C ATOM 411 CG ASP A 31 -13.362 24.402 -0.074 1.00 0.00 C ATOM 412 OD1 ASP A 31 -14.597 24.241 0.015 1.00 0.00 O ATOM 413 OD2 ASP A 31 -12.705 25.248 0.570 1.00 0.00 O ATOM 0 H ASP A 31 -13.152 20.722 -2.653 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.832 21.596 -1.001 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.509 23.650 -0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.741 23.878 -2.050 1.00 0.00 H new ATOM 418 N THR A 32 -13.323 21.922 1.374 1.00 0.00 N ATOM 419 CA THR A 32 -13.978 21.520 2.624 1.00 0.00 C ATOM 420 C THR A 32 -15.453 21.208 2.336 1.00 0.00 C ATOM 421 O THR A 32 -15.984 20.230 2.858 1.00 0.00 O ATOM 422 CB THR A 32 -13.860 22.617 3.694 1.00 0.00 C ATOM 423 OG1 THR A 32 -14.268 23.866 3.174 1.00 0.00 O ATOM 424 CG2 THR A 32 -12.437 22.733 4.249 1.00 0.00 C ATOM 0 H THR A 32 -12.633 22.661 1.510 1.00 0.00 H new ATOM 0 HA THR A 32 -13.482 20.631 3.013 1.00 0.00 H new ATOM 0 HB THR A 32 -14.518 22.330 4.514 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.187 24.552 3.869 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.403 23.521 5.001 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.145 21.786 4.702 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.749 22.975 3.439 1.00 0.00 H new ATOM 432 N ALA A 33 -16.061 22.059 1.491 1.00 0.00 N ATOM 433 CA ALA A 33 -17.413 22.039 0.958 1.00 0.00 C ATOM 434 C ALA A 33 -17.800 23.457 0.543 1.00 0.00 C ATOM 435 O ALA A 33 -18.345 24.222 1.336 1.00 0.00 O ATOM 436 CB ALA A 33 -18.421 21.325 1.852 1.00 0.00 C ATOM 0 H ALA A 33 -15.549 22.864 1.131 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.434 21.417 0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -19.406 21.353 1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -18.114 20.288 1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -18.465 21.823 2.821 1.00 0.00 H new ATOM 442 N GLY A 34 -17.504 23.779 -0.725 1.00 0.00 N ATOM 443 CA GLY A 34 -17.744 25.064 -1.366 1.00 0.00 C ATOM 444 C GLY A 34 -18.205 24.877 -2.812 1.00 0.00 C ATOM 445 O GLY A 34 -19.038 24.011 -3.072 1.00 0.00 O ATOM 0 H GLY A 34 -17.068 23.108 -1.358 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -18.500 25.617 -0.808 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -16.832 25.661 -1.345 1.00 0.00 H new ATOM 449 N SER A 35 -17.656 25.673 -3.746 1.00 0.00 N ATOM 450 CA SER A 35 -17.991 25.662 -5.164 1.00 0.00 C ATOM 451 C SER A 35 -17.196 26.755 -5.883 1.00 0.00 C ATOM 452 O SER A 35 -17.426 27.941 -5.655 1.00 0.00 O ATOM 453 CB SER A 35 -19.499 25.863 -5.398 1.00 0.00 C ATOM 454 OG SER A 35 -19.989 26.981 -4.688 1.00 0.00 O ATOM 0 H SER A 35 -16.942 26.364 -3.516 1.00 0.00 H new ATOM 0 HA SER A 35 -17.727 24.684 -5.567 1.00 0.00 H new ATOM 0 HB2 SER A 35 -19.688 25.996 -6.463 1.00 0.00 H new ATOM 0 HB3 SER A 35 -20.039 24.968 -5.087 1.00 0.00 H new ATOM 0 HG SER A 35 -19.344 27.716 -4.750 1.00 0.00 H new ATOM 460 N SER A 36 -16.254 26.329 -6.736 1.00 0.00 N ATOM 461 CA SER A 36 -15.368 27.119 -7.590 1.00 0.00 C ATOM 462 C SER A 36 -14.045 27.509 -6.931 1.00 0.00 C ATOM 463 O SER A 36 -13.165 28.023 -7.620 1.00 0.00 O ATOM 464 CB SER A 36 -16.067 28.331 -8.226 1.00 0.00 C ATOM 465 OG SER A 36 -17.274 27.941 -8.844 1.00 0.00 O ATOM 0 H SER A 36 -16.080 25.331 -6.853 1.00 0.00 H new ATOM 0 HA SER A 36 -15.105 26.440 -8.401 1.00 0.00 H new ATOM 0 HB2 SER A 36 -16.269 29.083 -7.463 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.408 28.793 -8.962 1.00 0.00 H new ATOM 0 HG SER A 36 -17.706 28.725 -9.242 1.00 0.00 H new ATOM 471 N THR A 37 -13.884 27.267 -5.622 1.00 0.00 N ATOM 472 CA THR A 37 -12.653 27.585 -4.909 1.00 0.00 C ATOM 473 C THR A 37 -11.581 26.492 -5.081 1.00 0.00 C ATOM 474 O THR A 37 -10.517 26.592 -4.473 1.00 0.00 O ATOM 475 CB THR A 37 -12.979 27.918 -3.444 1.00 0.00 C ATOM 476 OG1 THR A 37 -11.866 28.527 -2.823 1.00 0.00 O ATOM 477 CG2 THR A 37 -13.397 26.689 -2.635 1.00 0.00 C ATOM 0 H THR A 37 -14.605 26.847 -5.036 1.00 0.00 H new ATOM 0 HA THR A 37 -12.202 28.474 -5.349 1.00 0.00 H new ATOM 0 HB THR A 37 -13.826 28.604 -3.462 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.041 28.106 -3.144 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.615 26.986 -1.609 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.287 26.245 -3.081 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.588 25.959 -2.638 1.00 0.00 H new ATOM 485 N TYR A 38 -11.861 25.458 -5.897 1.00 0.00 N ATOM 486 CA TYR A 38 -11.000 24.323 -6.236 1.00 0.00 C ATOM 487 C TYR A 38 -11.064 23.273 -5.120 1.00 0.00 C ATOM 488 O TYR A 38 -11.100 23.647 -3.949 1.00 0.00 O ATOM 489 CB TYR A 38 -9.557 24.753 -6.586 1.00 0.00 C ATOM 490 CG TYR A 38 -9.388 25.881 -7.602 1.00 0.00 C ATOM 491 CD1 TYR A 38 -10.473 26.333 -8.383 1.00 0.00 C ATOM 492 CD2 TYR A 38 -8.127 26.495 -7.765 1.00 0.00 C ATOM 493 CE1 TYR A 38 -10.308 27.379 -9.303 1.00 0.00 C ATOM 494 CE2 TYR A 38 -7.962 27.541 -8.691 1.00 0.00 C ATOM 495 CZ TYR A 38 -9.051 27.986 -9.459 1.00 0.00 C ATOM 496 OH TYR A 38 -8.885 28.996 -10.360 1.00 0.00 O ATOM 0 H TYR A 38 -12.763 25.395 -6.368 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.379 23.864 -7.149 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.062 25.054 -5.663 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -9.026 23.878 -6.962 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -11.441 25.868 -8.271 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.286 26.160 -7.176 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -11.148 27.718 -9.892 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.994 28.004 -8.812 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.955 29.303 -10.339 1.00 0.00 H new ATOM 506 N PRO A 39 -11.071 21.963 -5.437 1.00 0.00 N ATOM 507 CA PRO A 39 -10.977 21.375 -6.765 1.00 0.00 C ATOM 508 C PRO A 39 -12.169 21.568 -7.702 1.00 0.00 C ATOM 509 O PRO A 39 -13.323 21.560 -7.282 1.00 0.00 O ATOM 510 CB PRO A 39 -10.782 19.872 -6.550 1.00 0.00 C ATOM 511 CG PRO A 39 -10.424 19.718 -5.077 1.00 0.00 C ATOM 512 CD PRO A 39 -11.141 20.904 -4.447 1.00 0.00 C ATOM 0 HA PRO A 39 -10.158 21.891 -7.267 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.689 19.319 -6.794 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.990 19.483 -7.190 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.772 18.769 -4.670 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.347 19.759 -4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.175 20.657 -4.208 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.661 21.204 -3.515 1.00 0.00 H new ATOM 520 N HIS A 40 -11.835 21.728 -8.987 1.00 0.00 N ATOM 521 CA HIS A 40 -12.729 21.900 -10.121 1.00 0.00 C ATOM 522 C HIS A 40 -11.919 21.530 -11.368 1.00 0.00 C ATOM 523 O HIS A 40 -10.688 21.521 -11.307 1.00 0.00 O ATOM 524 CB HIS A 40 -13.298 23.328 -10.192 1.00 0.00 C ATOM 525 CG HIS A 40 -12.456 24.313 -10.969 1.00 0.00 C ATOM 526 ND1 HIS A 40 -12.997 25.158 -11.925 1.00 0.00 N ATOM 527 CD2 HIS A 40 -11.111 24.598 -10.961 1.00 0.00 C ATOM 528 CE1 HIS A 40 -11.990 25.890 -12.432 1.00 0.00 C ATOM 529 NE2 HIS A 40 -10.810 25.594 -11.886 1.00 0.00 N ATOM 0 H HIS A 40 -10.857 21.741 -9.276 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.604 21.257 -10.030 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.290 23.286 -10.643 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.425 23.703 -9.177 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.386 24.114 -10.323 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.123 26.638 -13.200 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -9.899 26.002 -12.097 1.00 0.00 H new ATOM 537 N THR A 41 -12.577 21.237 -12.497 1.00 0.00 N ATOM 538 CA THR A 41 -11.864 20.862 -13.714 1.00 0.00 C ATOM 539 C THR A 41 -10.902 21.968 -14.166 1.00 0.00 C ATOM 540 O THR A 41 -11.162 23.151 -13.951 1.00 0.00 O ATOM 541 CB THR A 41 -12.826 20.424 -14.823 1.00 0.00 C ATOM 542 OG1 THR A 41 -12.100 19.813 -15.872 1.00 0.00 O ATOM 543 CG2 THR A 41 -13.586 21.618 -15.388 1.00 0.00 C ATOM 0 H THR A 41 -13.593 21.253 -12.588 1.00 0.00 H new ATOM 0 HA THR A 41 -11.249 19.992 -13.482 1.00 0.00 H new ATOM 0 HB THR A 41 -13.537 19.719 -14.393 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.282 19.411 -15.513 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.262 21.280 -16.173 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.161 22.092 -14.593 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.879 22.337 -15.802 1.00 0.00 H new ATOM 551 N TYR A 42 -9.797 21.565 -14.802 1.00 0.00 N ATOM 552 CA TYR A 42 -8.761 22.463 -15.292 1.00 0.00 C ATOM 553 C TYR A 42 -9.081 22.867 -16.733 1.00 0.00 C ATOM 554 O TYR A 42 -9.595 22.066 -17.512 1.00 0.00 O ATOM 555 CB TYR A 42 -7.392 21.777 -15.158 1.00 0.00 C ATOM 556 CG TYR A 42 -6.155 22.584 -15.535 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.105 23.990 -15.428 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.017 21.896 -15.992 1.00 0.00 C ATOM 559 CE1 TYR A 42 -4.938 24.689 -15.781 1.00 0.00 C ATOM 560 CE2 TYR A 42 -3.850 22.592 -16.350 1.00 0.00 C ATOM 561 CZ TYR A 42 -3.808 23.991 -16.242 1.00 0.00 C ATOM 562 OH TYR A 42 -2.671 24.666 -16.580 1.00 0.00 O ATOM 0 H TYR A 42 -9.599 20.582 -14.992 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.727 23.377 -14.699 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.279 21.454 -14.123 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.406 20.877 -15.773 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.969 24.532 -15.073 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.040 20.819 -16.069 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.909 25.765 -15.698 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.986 22.051 -16.708 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.988 24.029 -16.877 1.00 0.00 H new ATOM 572 N ASN A 43 -8.776 24.124 -17.069 1.00 0.00 N ATOM 573 CA ASN A 43 -9.008 24.738 -18.366 1.00 0.00 C ATOM 574 C ASN A 43 -8.183 24.100 -19.484 1.00 0.00 C ATOM 575 O ASN A 43 -8.736 23.770 -20.532 1.00 0.00 O ATOM 576 CB ASN A 43 -8.699 26.240 -18.277 1.00 0.00 C ATOM 577 CG ASN A 43 -9.529 26.945 -17.205 1.00 0.00 C ATOM 578 OD1 ASN A 43 -10.617 27.443 -17.488 1.00 0.00 O ATOM 579 ND2 ASN A 43 -9.014 26.997 -15.973 1.00 0.00 N ATOM 0 H ASN A 43 -8.340 24.766 -16.407 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.056 24.577 -18.621 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.640 26.378 -18.061 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.890 26.705 -19.244 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.527 27.463 -15.225 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.108 26.571 -15.781 1.00 0.00 H new ATOM 586 N ASN A 44 -6.870 23.935 -19.263 1.00 0.00 N ATOM 587 CA ASN A 44 -5.920 23.372 -20.221 1.00 0.00 C ATOM 588 C ASN A 44 -5.684 24.367 -21.368 1.00 0.00 C ATOM 589 O ASN A 44 -6.076 25.529 -21.268 1.00 0.00 O ATOM 590 CB ASN A 44 -6.352 21.981 -20.725 1.00 0.00 C ATOM 591 CG ASN A 44 -6.783 21.053 -19.590 1.00 0.00 C ATOM 592 OD1 ASN A 44 -6.035 20.843 -18.640 1.00 0.00 O ATOM 593 ND2 ASN A 44 -7.991 20.492 -19.688 1.00 0.00 N ATOM 0 H ASN A 44 -6.431 24.200 -18.382 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.971 23.213 -19.710 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.176 22.094 -21.430 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.526 21.523 -21.270 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -8.322 19.863 -18.956 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.583 20.693 -20.494 1.00 0.00 H new ATOM 600 N TYR A 45 -5.035 23.911 -22.451 1.00 0.00 N ATOM 601 CA TYR A 45 -4.709 24.692 -23.644 1.00 0.00 C ATOM 602 C TYR A 45 -3.657 25.768 -23.369 1.00 0.00 C ATOM 603 O TYR A 45 -3.329 26.048 -22.215 1.00 0.00 O ATOM 604 CB TYR A 45 -5.967 25.246 -24.331 1.00 0.00 C ATOM 605 CG TYR A 45 -6.971 24.173 -24.701 1.00 0.00 C ATOM 606 CD1 TYR A 45 -6.703 23.311 -25.781 1.00 0.00 C ATOM 607 CD2 TYR A 45 -8.162 24.025 -23.966 1.00 0.00 C ATOM 608 CE1 TYR A 45 -7.621 22.306 -26.125 1.00 0.00 C ATOM 609 CE2 TYR A 45 -9.080 23.019 -24.312 1.00 0.00 C ATOM 610 CZ TYR A 45 -8.810 22.159 -25.392 1.00 0.00 C ATOM 611 OH TYR A 45 -9.701 21.178 -25.721 1.00 0.00 O ATOM 0 H TYR A 45 -4.711 22.946 -22.517 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.250 24.005 -24.355 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.445 25.968 -23.670 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.673 25.785 -25.232 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.789 23.423 -26.346 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.370 24.684 -23.136 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.413 21.646 -26.954 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.994 22.906 -23.748 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.468 21.216 -25.113 1.00 0.00 H new ATOM 621 N GLU A 46 -3.129 26.371 -24.448 1.00 0.00 N ATOM 622 CA GLU A 46 -2.090 27.395 -24.403 1.00 0.00 C ATOM 623 C GLU A 46 -0.902 26.815 -23.631 1.00 0.00 C ATOM 624 O GLU A 46 -0.396 27.426 -22.691 1.00 0.00 O ATOM 625 CB GLU A 46 -2.618 28.706 -23.789 1.00 0.00 C ATOM 626 CG GLU A 46 -3.885 29.230 -24.479 1.00 0.00 C ATOM 627 CD GLU A 46 -3.680 29.446 -25.975 1.00 0.00 C ATOM 628 OE1 GLU A 46 -2.988 30.429 -26.321 1.00 0.00 O ATOM 629 OE2 GLU A 46 -4.213 28.621 -26.749 1.00 0.00 O ATOM 0 H GLU A 46 -3.426 26.148 -25.398 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.768 27.660 -25.410 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.828 28.546 -22.732 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.839 29.466 -23.848 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.700 28.523 -24.324 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.186 30.170 -24.016 1.00 0.00 H new ATOM 636 N GLY A 47 -0.477 25.614 -24.045 1.00 0.00 N ATOM 637 CA GLY A 47 0.601 24.869 -23.426 1.00 0.00 C ATOM 638 C GLY A 47 0.021 24.079 -22.250 1.00 0.00 C ATOM 639 O GLY A 47 -1.186 23.843 -22.198 1.00 0.00 O ATOM 0 H GLY A 47 -0.892 25.130 -24.842 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.060 24.194 -24.148 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.382 25.546 -23.081 1.00 0.00 H new ATOM 643 N PHE A 48 0.894 23.689 -21.315 1.00 0.00 N ATOM 644 CA PHE A 48 0.610 22.947 -20.093 1.00 0.00 C ATOM 645 C PHE A 48 -0.490 21.888 -20.168 1.00 0.00 C ATOM 646 O PHE A 48 -1.675 22.195 -20.038 1.00 0.00 O ATOM 647 CB PHE A 48 0.371 23.920 -18.931 1.00 0.00 C ATOM 648 CG PHE A 48 1.661 24.248 -18.220 1.00 0.00 C ATOM 649 CD1 PHE A 48 2.250 23.267 -17.399 1.00 0.00 C ATOM 650 CD2 PHE A 48 2.275 25.503 -18.381 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.461 23.543 -16.741 1.00 0.00 C ATOM 652 CE2 PHE A 48 3.484 25.776 -17.720 1.00 0.00 C ATOM 653 CZ PHE A 48 4.077 24.795 -16.908 1.00 0.00 C ATOM 0 H PHE A 48 1.888 23.902 -21.404 1.00 0.00 H new ATOM 0 HA PHE A 48 1.508 22.353 -19.921 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.083 24.837 -19.308 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.335 23.482 -18.226 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.773 22.306 -17.275 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.819 26.253 -19.010 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.917 22.795 -16.109 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.957 26.740 -17.836 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.012 25.004 -16.409 1.00 0.00 H new ATOM 663 N ASP A 49 -0.073 20.634 -20.366 1.00 0.00 N ATOM 664 CA ASP A 49 -0.958 19.486 -20.436 1.00 0.00 C ATOM 665 C ASP A 49 -0.165 18.215 -20.143 1.00 0.00 C ATOM 666 O ASP A 49 0.995 18.097 -20.535 1.00 0.00 O ATOM 667 CB ASP A 49 -1.680 19.418 -21.790 1.00 0.00 C ATOM 668 CG ASP A 49 -0.708 19.391 -22.971 1.00 0.00 C ATOM 669 OD1 ASP A 49 -0.368 20.493 -23.454 1.00 0.00 O ATOM 670 OD2 ASP A 49 -0.324 18.269 -23.369 1.00 0.00 O ATOM 0 H ASP A 49 0.911 20.392 -20.484 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.736 19.587 -19.679 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.307 18.527 -21.819 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.343 20.278 -21.888 1.00 0.00 H new ATOM 675 N PHE A 50 -0.808 17.276 -19.440 1.00 0.00 N ATOM 676 CA PHE A 50 -0.239 15.996 -19.037 1.00 0.00 C ATOM 677 C PHE A 50 -0.775 14.904 -19.969 1.00 0.00 C ATOM 678 O PHE A 50 -1.861 15.073 -20.526 1.00 0.00 O ATOM 679 CB PHE A 50 -0.620 15.742 -17.569 1.00 0.00 C ATOM 680 CG PHE A 50 -0.318 16.916 -16.651 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.993 17.421 -16.547 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.352 17.513 -15.908 1.00 0.00 C ATOM 683 CE1 PHE A 50 1.265 18.515 -15.705 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.081 18.607 -15.068 1.00 0.00 C ATOM 685 CZ PHE A 50 0.227 19.109 -14.966 1.00 0.00 C ATOM 0 H PHE A 50 -1.772 17.396 -19.128 1.00 0.00 H new ATOM 0 HA PHE A 50 0.848 15.996 -19.114 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.684 15.512 -17.513 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.084 14.863 -17.210 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.792 16.967 -17.115 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.359 17.129 -15.983 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.272 18.899 -15.626 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.879 19.062 -14.500 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.435 19.950 -14.321 1.00 0.00 H new ATOM 695 N PRO A 51 -0.046 13.790 -20.172 1.00 0.00 N ATOM 696 CA PRO A 51 -0.453 12.694 -21.044 1.00 0.00 C ATOM 697 C PRO A 51 -1.502 11.781 -20.391 1.00 0.00 C ATOM 698 O PRO A 51 -1.425 10.559 -20.509 1.00 0.00 O ATOM 699 CB PRO A 51 0.854 11.956 -21.344 1.00 0.00 C ATOM 700 CG PRO A 51 1.566 12.054 -19.996 1.00 0.00 C ATOM 701 CD PRO A 51 1.255 13.496 -19.591 1.00 0.00 C ATOM 0 HA PRO A 51 -0.946 13.050 -21.949 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.683 10.922 -21.645 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.421 12.432 -22.144 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.180 11.333 -19.275 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.638 11.875 -20.084 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.234 13.603 -18.507 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.016 14.181 -19.964 1.00 0.00 H new ATOM 709 N VAL A 52 -2.485 12.377 -19.706 1.00 0.00 N ATOM 710 CA VAL A 52 -3.594 11.722 -19.030 1.00 0.00 C ATOM 711 C VAL A 52 -4.783 12.681 -19.081 1.00 0.00 C ATOM 712 O VAL A 52 -4.600 13.897 -19.155 1.00 0.00 O ATOM 713 CB VAL A 52 -3.268 11.326 -17.576 1.00 0.00 C ATOM 714 CG1 VAL A 52 -2.201 10.228 -17.501 1.00 0.00 C ATOM 715 CG2 VAL A 52 -2.848 12.513 -16.695 1.00 0.00 C ATOM 0 H VAL A 52 -2.523 13.391 -19.607 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.818 10.784 -19.538 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.206 10.939 -17.179 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.005 9.982 -16.457 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.556 9.339 -18.022 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.282 10.581 -17.970 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.634 12.160 -15.686 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.956 12.979 -17.113 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.656 13.244 -16.660 1.00 0.00 H new ATOM 725 N ASP A 53 -5.999 12.125 -19.051 1.00 0.00 N ATOM 726 CA ASP A 53 -7.234 12.885 -19.082 1.00 0.00 C ATOM 727 C ASP A 53 -8.269 12.174 -18.212 1.00 0.00 C ATOM 728 O ASP A 53 -8.697 11.065 -18.529 1.00 0.00 O ATOM 729 CB ASP A 53 -7.686 13.128 -20.529 1.00 0.00 C ATOM 730 CG ASP A 53 -7.911 11.840 -21.321 1.00 0.00 C ATOM 731 OD1 ASP A 53 -6.897 11.265 -21.773 1.00 0.00 O ATOM 732 OD2 ASP A 53 -9.093 11.458 -21.463 1.00 0.00 O ATOM 0 H ASP A 53 -6.145 11.117 -19.004 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.090 13.880 -18.661 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.610 13.706 -20.521 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.936 13.733 -21.039 1.00 0.00 H new ATOM 737 N GLY A 54 -8.660 12.816 -17.104 1.00 0.00 N ATOM 738 CA GLY A 54 -9.617 12.283 -16.150 1.00 0.00 C ATOM 739 C GLY A 54 -11.069 12.461 -16.607 1.00 0.00 C ATOM 740 O GLY A 54 -11.775 11.458 -16.703 1.00 0.00 O ATOM 0 H GLY A 54 -8.308 13.738 -16.848 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.417 11.223 -15.994 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.480 12.778 -15.189 1.00 0.00 H new ATOM 744 N PRO A 55 -11.554 13.689 -16.893 1.00 0.00 N ATOM 745 CA PRO A 55 -10.860 14.975 -16.851 1.00 0.00 C ATOM 746 C PRO A 55 -10.181 15.270 -15.514 1.00 0.00 C ATOM 747 O PRO A 55 -10.660 14.844 -14.467 1.00 0.00 O ATOM 748 CB PRO A 55 -11.924 16.037 -17.151 1.00 0.00 C ATOM 749 CG PRO A 55 -12.965 15.275 -17.964 1.00 0.00 C ATOM 750 CD PRO A 55 -12.928 13.889 -17.327 1.00 0.00 C ATOM 0 HA PRO A 55 -10.049 14.968 -17.579 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.351 16.448 -16.236 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.509 16.874 -17.713 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.952 15.731 -17.889 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.709 15.242 -19.023 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.617 13.827 -16.485 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.228 13.122 -18.041 1.00 0.00 H new ATOM 758 N TYR A 56 -9.073 16.016 -15.567 1.00 0.00 N ATOM 759 CA TYR A 56 -8.267 16.384 -14.412 1.00 0.00 C ATOM 760 C TYR A 56 -8.695 17.730 -13.846 1.00 0.00 C ATOM 761 O TYR A 56 -9.277 18.567 -14.537 1.00 0.00 O ATOM 762 CB TYR A 56 -6.759 16.216 -14.689 1.00 0.00 C ATOM 763 CG TYR A 56 -6.147 16.802 -15.959 1.00 0.00 C ATOM 764 CD1 TYR A 56 -6.521 16.321 -17.228 1.00 0.00 C ATOM 765 CD2 TYR A 56 -5.179 17.821 -15.875 1.00 0.00 C ATOM 766 CE1 TYR A 56 -5.947 16.852 -18.396 1.00 0.00 C ATOM 767 CE2 TYR A 56 -4.597 18.348 -17.043 1.00 0.00 C ATOM 768 CZ TYR A 56 -4.976 17.862 -18.304 1.00 0.00 C ATOM 769 OH TYR A 56 -4.409 18.369 -19.438 1.00 0.00 O ATOM 0 H TYR A 56 -8.707 16.388 -16.443 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.459 15.680 -13.603 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.224 16.647 -13.843 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.547 15.147 -14.690 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -7.258 15.535 -17.305 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.881 18.200 -14.909 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.253 16.483 -19.364 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.856 19.130 -16.969 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.728 19.284 -19.582 1.00 0.00 H new ATOM 779 N GLN A 57 -8.370 17.897 -12.561 1.00 0.00 N ATOM 780 CA GLN A 57 -8.709 19.032 -11.731 1.00 0.00 C ATOM 781 C GLN A 57 -7.539 19.681 -11.003 1.00 0.00 C ATOM 782 O GLN A 57 -6.524 19.051 -10.713 1.00 0.00 O ATOM 783 CB GLN A 57 -9.779 18.538 -10.746 1.00 0.00 C ATOM 784 CG GLN A 57 -9.429 17.239 -9.982 1.00 0.00 C ATOM 785 CD GLN A 57 -8.892 17.485 -8.575 1.00 0.00 C ATOM 786 OE1 GLN A 57 -8.058 18.362 -8.364 1.00 0.00 O ATOM 787 NE2 GLN A 57 -9.363 16.699 -7.601 1.00 0.00 N ATOM 0 H GLN A 57 -7.831 17.196 -12.052 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.070 19.834 -12.374 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.971 19.327 -10.019 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.707 18.378 -11.295 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.319 16.614 -9.918 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.687 16.680 -10.553 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.055 15.981 -7.815 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.030 16.817 -6.644 1.00 0.00 H new ATOM 796 N GLU A 58 -7.739 20.971 -10.709 1.00 0.00 N ATOM 797 CA GLU A 58 -6.817 21.856 -10.020 1.00 0.00 C ATOM 798 C GLU A 58 -6.899 21.626 -8.518 1.00 0.00 C ATOM 799 O GLU A 58 -7.944 21.238 -8.008 1.00 0.00 O ATOM 800 CB GLU A 58 -7.263 23.310 -10.249 1.00 0.00 C ATOM 801 CG GLU A 58 -7.364 23.731 -11.719 1.00 0.00 C ATOM 802 CD GLU A 58 -6.005 24.085 -12.310 1.00 0.00 C ATOM 803 OE1 GLU A 58 -5.206 23.148 -12.521 1.00 0.00 O ATOM 804 OE2 GLU A 58 -5.790 25.292 -12.550 1.00 0.00 O ATOM 0 H GLU A 58 -8.605 21.446 -10.965 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.811 21.666 -10.394 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.235 23.455 -9.777 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.561 23.974 -9.744 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.810 22.922 -12.297 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.030 24.589 -11.805 1.00 0.00 H new ATOM 811 N PHE A 59 -5.793 21.855 -7.809 1.00 0.00 N ATOM 812 CA PHE A 59 -5.749 21.724 -6.368 1.00 0.00 C ATOM 813 C PHE A 59 -4.546 22.515 -5.854 1.00 0.00 C ATOM 814 O PHE A 59 -3.422 22.022 -5.888 1.00 0.00 O ATOM 815 CB PHE A 59 -5.705 20.265 -5.952 1.00 0.00 C ATOM 816 CG PHE A 59 -5.716 20.165 -4.451 1.00 0.00 C ATOM 817 CD1 PHE A 59 -6.846 20.579 -3.721 1.00 0.00 C ATOM 818 CD2 PHE A 59 -4.591 19.670 -3.779 1.00 0.00 C ATOM 819 CE1 PHE A 59 -6.859 20.467 -2.324 1.00 0.00 C ATOM 820 CE2 PHE A 59 -4.602 19.573 -2.388 1.00 0.00 C ATOM 821 CZ PHE A 59 -5.734 19.960 -1.660 1.00 0.00 C ATOM 0 H PHE A 59 -4.906 22.136 -8.226 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.656 22.132 -5.923 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.560 19.732 -6.368 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.809 19.790 -6.351 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.704 20.983 -4.238 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.718 19.364 -4.336 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.731 20.770 -1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.733 19.197 -1.869 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.740 19.867 -0.584 1.00 0.00 H new ATOM 831 N PRO A 60 -4.749 23.736 -5.354 1.00 0.00 N ATOM 832 CA PRO A 60 -3.662 24.573 -4.910 1.00 0.00 C ATOM 833 C PRO A 60 -3.131 24.210 -3.515 1.00 0.00 C ATOM 834 O PRO A 60 -3.879 24.254 -2.541 1.00 0.00 O ATOM 835 CB PRO A 60 -4.246 25.976 -5.021 1.00 0.00 C ATOM 836 CG PRO A 60 -5.695 25.778 -4.576 1.00 0.00 C ATOM 837 CD PRO A 60 -6.026 24.402 -5.160 1.00 0.00 C ATOM 0 HA PRO A 60 -2.760 24.455 -5.511 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.720 26.684 -4.381 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.185 26.360 -6.039 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.794 25.794 -3.491 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.351 26.555 -4.967 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.665 23.834 -4.484 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.565 24.497 -6.103 1.00 0.00 H new ATOM 845 N ILE A 61 -1.838 23.853 -3.415 1.00 0.00 N ATOM 846 CA ILE A 61 -1.189 23.509 -2.156 1.00 0.00 C ATOM 847 C ILE A 61 -0.700 24.774 -1.499 1.00 0.00 C ATOM 848 O ILE A 61 -0.856 25.896 -1.974 1.00 0.00 O ATOM 849 CB ILE A 61 -0.069 22.463 -2.291 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.525 21.723 -1.067 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.007 22.868 -3.293 1.00 0.00 C ATOM 852 CD1 ILE A 61 0.965 20.294 -1.411 1.00 0.00 C ATOM 0 H ILE A 61 -1.215 23.797 -4.221 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.933 23.024 -1.524 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.693 21.655 -2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.379 22.282 -0.686 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.217 21.691 -0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.769 22.090 -3.343 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.557 23.000 -4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.466 23.805 -2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.375 19.815 -0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.106 19.725 -1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.727 20.325 -2.190 1.00 0.00 H new ATOM 864 N LYS A 62 -0.089 24.483 -0.374 1.00 0.00 N ATOM 865 CA LYS A 62 0.498 25.446 0.547 1.00 0.00 C ATOM 866 C LYS A 62 1.517 24.785 1.472 1.00 0.00 C ATOM 867 O LYS A 62 1.300 23.674 1.953 1.00 0.00 O ATOM 868 CB LYS A 62 -0.615 26.155 1.342 1.00 0.00 C ATOM 869 CG LYS A 62 -0.948 27.546 0.781 1.00 0.00 C ATOM 870 CD LYS A 62 -0.304 28.650 1.622 1.00 0.00 C ATOM 871 CE LYS A 62 -0.475 30.011 0.939 1.00 0.00 C ATOM 872 NZ LYS A 62 -0.141 31.116 1.852 1.00 0.00 N ATOM 0 H LYS A 62 0.021 23.521 -0.054 1.00 0.00 H new ATOM 0 HA LYS A 62 1.039 26.195 -0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.514 25.538 1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.308 26.251 2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.599 27.619 -0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.029 27.684 0.761 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.759 28.673 2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.756 28.437 1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.164 30.060 0.057 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.503 30.120 0.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.267 32.023 1.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.767 31.082 2.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.848 31.024 2.161 1.00 0.00 H new ATOM 886 N SER A 63 2.626 25.498 1.716 1.00 0.00 N ATOM 887 CA SER A 63 3.718 25.081 2.581 1.00 0.00 C ATOM 888 C SER A 63 3.404 25.590 3.987 1.00 0.00 C ATOM 889 O SER A 63 4.122 26.419 4.544 1.00 0.00 O ATOM 890 CB SER A 63 5.044 25.616 2.027 1.00 0.00 C ATOM 891 OG SER A 63 4.982 27.016 1.846 1.00 0.00 O ATOM 0 H SER A 63 2.784 26.414 1.296 1.00 0.00 H new ATOM 0 HA SER A 63 3.821 23.997 2.621 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.856 25.369 2.711 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.269 25.131 1.077 1.00 0.00 H new ATOM 0 HG SER A 63 4.788 27.448 2.704 1.00 0.00 H new ATOM 897 N GLY A 64 2.300 25.080 4.542 1.00 0.00 N ATOM 898 CA GLY A 64 1.791 25.422 5.858 1.00 0.00 C ATOM 899 C GLY A 64 0.636 24.487 6.209 1.00 0.00 C ATOM 900 O GLY A 64 0.629 23.884 7.281 1.00 0.00 O ATOM 0 H GLY A 64 1.720 24.392 4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.584 25.335 6.601 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.453 26.458 5.872 1.00 0.00 H new ATOM 904 N GLY A 65 -0.337 24.372 5.296 1.00 0.00 N ATOM 905 CA GLY A 65 -1.503 23.520 5.450 1.00 0.00 C ATOM 906 C GLY A 65 -2.132 23.212 4.092 1.00 0.00 C ATOM 907 O GLY A 65 -1.668 23.695 3.061 1.00 0.00 O ATOM 0 H GLY A 65 -0.327 24.884 4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.218 22.591 5.943 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.235 24.010 6.092 1.00 0.00 H new ATOM 911 N VAL A 66 -3.194 22.397 4.105 1.00 0.00 N ATOM 912 CA VAL A 66 -3.920 21.978 2.915 1.00 0.00 C ATOM 913 C VAL A 66 -4.859 23.122 2.500 1.00 0.00 C ATOM 914 O VAL A 66 -5.886 23.353 3.135 1.00 0.00 O ATOM 915 CB VAL A 66 -4.568 20.599 3.197 1.00 0.00 C ATOM 916 CG1 VAL A 66 -5.793 20.638 4.123 1.00 0.00 C ATOM 917 CG2 VAL A 66 -4.911 19.804 1.932 1.00 0.00 C ATOM 0 H VAL A 66 -3.576 22.006 4.966 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.287 21.808 2.044 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.774 20.076 3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.177 19.627 4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.506 21.052 5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.567 21.262 3.676 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.361 18.851 2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.615 20.373 1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.002 19.622 1.359 1.00 0.00 H new ATOM 927 N TYR A 67 -4.483 23.842 1.430 1.00 0.00 N ATOM 928 CA TYR A 67 -5.187 24.992 0.861 1.00 0.00 C ATOM 929 C TYR A 67 -5.592 26.014 1.929 1.00 0.00 C ATOM 930 O TYR A 67 -6.769 26.158 2.251 1.00 0.00 O ATOM 931 CB TYR A 67 -6.323 24.591 -0.102 1.00 0.00 C ATOM 932 CG TYR A 67 -7.447 23.731 0.447 1.00 0.00 C ATOM 933 CD1 TYR A 67 -7.266 22.342 0.542 1.00 0.00 C ATOM 934 CD2 TYR A 67 -8.670 24.301 0.848 1.00 0.00 C ATOM 935 CE1 TYR A 67 -8.288 21.521 1.048 1.00 0.00 C ATOM 936 CE2 TYR A 67 -9.691 23.483 1.362 1.00 0.00 C ATOM 937 CZ TYR A 67 -9.503 22.093 1.459 1.00 0.00 C ATOM 938 OH TYR A 67 -10.492 21.299 1.960 1.00 0.00 O ATOM 0 H TYR A 67 -3.632 23.621 0.914 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.471 25.514 0.226 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.764 25.505 -0.498 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.877 24.061 -0.944 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.333 21.901 0.223 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.824 25.366 0.761 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.140 20.454 1.121 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -10.623 23.924 1.684 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.316 20.366 1.719 1.00 0.00 H new ATOM 948 N THR A 68 -4.594 26.725 2.473 1.00 0.00 N ATOM 949 CA THR A 68 -4.758 27.755 3.491 1.00 0.00 C ATOM 950 C THR A 68 -4.459 29.126 2.876 1.00 0.00 C ATOM 951 O THR A 68 -3.511 29.265 2.106 1.00 0.00 O ATOM 952 CB THR A 68 -3.838 27.464 4.687 1.00 0.00 C ATOM 953 OG1 THR A 68 -2.505 27.256 4.261 1.00 0.00 O ATOM 954 CG2 THR A 68 -4.320 26.232 5.461 1.00 0.00 C ATOM 0 H THR A 68 -3.620 26.589 2.202 1.00 0.00 H new ATOM 0 HA THR A 68 -5.785 27.756 3.856 1.00 0.00 H new ATOM 0 HB THR A 68 -3.871 28.334 5.343 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.938 27.074 5.039 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.652 26.047 6.303 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.330 26.407 5.831 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.321 25.365 4.801 1.00 0.00 H new ATOM 962 N GLY A 69 -5.268 30.137 3.214 1.00 0.00 N ATOM 963 CA GLY A 69 -5.123 31.492 2.700 1.00 0.00 C ATOM 964 C GLY A 69 -5.821 31.608 1.347 1.00 0.00 C ATOM 965 O GLY A 69 -6.938 32.113 1.274 1.00 0.00 O ATOM 0 H GLY A 69 -6.050 30.029 3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.552 32.206 3.403 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.067 31.741 2.597 1.00 0.00 H new ATOM 969 N GLY A 70 -5.153 31.143 0.281 1.00 0.00 N ATOM 970 CA GLY A 70 -5.674 31.160 -1.078 1.00 0.00 C ATOM 971 C GLY A 70 -5.638 32.565 -1.677 1.00 0.00 C ATOM 972 O GLY A 70 -6.391 33.435 -1.244 1.00 0.00 O ATOM 0 H GLY A 70 -4.219 30.739 0.349 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.089 30.483 -1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.699 30.789 -1.080 1.00 0.00 H new ATOM 976 N SER A 71 -4.770 32.771 -2.678 1.00 0.00 N ATOM 977 CA SER A 71 -4.581 34.027 -3.397 1.00 0.00 C ATOM 978 C SER A 71 -4.031 35.112 -2.460 1.00 0.00 C ATOM 979 O SER A 71 -4.818 35.818 -1.828 1.00 0.00 O ATOM 980 CB SER A 71 -5.873 34.465 -4.107 1.00 0.00 C ATOM 981 OG SER A 71 -6.325 33.440 -4.965 1.00 0.00 O ATOM 0 H SER A 71 -4.157 32.031 -3.019 1.00 0.00 H new ATOM 0 HA SER A 71 -3.837 33.868 -4.177 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.641 34.698 -3.370 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.693 35.375 -4.679 1.00 0.00 H new ATOM 0 HG SER A 71 -7.149 33.727 -5.412 1.00 0.00 H new ATOM 987 N PRO A 72 -2.700 35.266 -2.340 1.00 0.00 N ATOM 988 CA PRO A 72 -1.663 34.569 -3.090 1.00 0.00 C ATOM 989 C PRO A 72 -1.479 33.127 -2.612 1.00 0.00 C ATOM 990 O PRO A 72 -1.955 32.742 -1.543 1.00 0.00 O ATOM 991 CB PRO A 72 -0.392 35.388 -2.854 1.00 0.00 C ATOM 992 CG PRO A 72 -0.594 35.918 -1.438 1.00 0.00 C ATOM 993 CD PRO A 72 -2.094 36.209 -1.411 1.00 0.00 C ATOM 0 HA PRO A 72 -1.921 34.492 -4.146 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.506 34.775 -2.933 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.290 36.196 -3.578 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.308 35.184 -0.684 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.002 36.814 -1.251 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.498 36.083 -0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.298 37.237 -1.710 1.00 0.00 H new ATOM 1001 N GLY A 73 -0.770 32.340 -3.427 1.00 0.00 N ATOM 1002 CA GLY A 73 -0.464 30.947 -3.163 1.00 0.00 C ATOM 1003 C GLY A 73 0.726 30.531 -4.022 1.00 0.00 C ATOM 1004 O GLY A 73 1.796 30.249 -3.490 1.00 0.00 O ATOM 0 H GLY A 73 -0.386 32.672 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.234 30.805 -2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.328 30.322 -3.388 1.00 0.00 H new ATOM 1008 N ALA A 74 0.501 30.492 -5.344 1.00 0.00 N ATOM 1009 CA ALA A 74 1.441 30.151 -6.402 1.00 0.00 C ATOM 1010 C ALA A 74 1.569 28.643 -6.498 1.00 0.00 C ATOM 1011 O ALA A 74 1.263 28.076 -7.532 1.00 0.00 O ATOM 1012 CB ALA A 74 2.822 30.799 -6.211 1.00 0.00 C ATOM 0 H ALA A 74 -0.419 30.718 -5.722 1.00 0.00 H new ATOM 0 HA ALA A 74 1.042 30.552 -7.334 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.478 30.507 -7.031 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.716 31.884 -6.200 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.252 30.466 -5.266 1.00 0.00 H new ATOM 1018 N ASP A 75 1.996 27.988 -5.421 1.00 0.00 N ATOM 1019 CA ASP A 75 2.219 26.551 -5.396 1.00 0.00 C ATOM 1020 C ASP A 75 0.946 25.720 -5.572 1.00 0.00 C ATOM 1021 O ASP A 75 0.053 25.751 -4.725 1.00 0.00 O ATOM 1022 CB ASP A 75 2.935 26.172 -4.097 1.00 0.00 C ATOM 1023 CG ASP A 75 4.216 26.976 -3.887 1.00 0.00 C ATOM 1024 OD1 ASP A 75 5.247 26.568 -4.462 1.00 0.00 O ATOM 1025 OD2 ASP A 75 4.141 27.986 -3.155 1.00 0.00 O ATOM 0 H ASP A 75 2.198 28.448 -4.533 1.00 0.00 H new ATOM 0 HA ASP A 75 2.842 26.313 -6.258 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.264 26.335 -3.254 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.174 25.109 -4.113 1.00 0.00 H new ATOM 1030 N ARG A 76 0.872 24.963 -6.677 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.259 24.104 -6.972 1.00 0.00 C ATOM 1032 C ARG A 76 0.167 22.731 -7.464 1.00 0.00 C ATOM 1033 O ARG A 76 1.288 22.519 -7.922 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.169 24.720 -8.046 1.00 0.00 C ATOM 1035 CG ARG A 76 -1.636 26.136 -7.710 1.00 0.00 C ATOM 1036 CD ARG A 76 -2.870 26.529 -8.528 1.00 0.00 C ATOM 1037 NE ARG A 76 -2.610 26.536 -9.974 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.529 26.873 -10.893 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.776 27.202 -10.525 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -3.201 26.889 -12.193 1.00 0.00 N ATOM 0 H ARG A 76 1.604 24.937 -7.387 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.797 24.001 -6.030 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.636 24.738 -8.996 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.041 24.081 -8.182 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.867 26.201 -6.647 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.829 26.842 -7.905 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.681 25.834 -8.312 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.207 27.518 -8.218 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.680 26.270 -10.298 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.034 27.198 -9.538 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.466 27.456 -11.232 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.254 26.645 -12.483 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.899 27.145 -12.892 1.00 0.00 H new ATOM 1054 N VAL A 77 -0.780 21.804 -7.335 1.00 0.00 N ATOM 1055 CA VAL A 77 -0.694 20.432 -7.781 1.00 0.00 C ATOM 1056 C VAL A 77 -1.995 20.259 -8.553 1.00 0.00 C ATOM 1057 O VAL A 77 -3.013 20.867 -8.229 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.460 19.388 -6.681 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.819 19.667 -5.884 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.626 19.266 -5.705 1.00 0.00 C ATOM 0 H VAL A 77 -1.674 22.011 -6.890 1.00 0.00 H new ATOM 0 HA VAL A 77 0.194 20.251 -8.386 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.361 18.443 -7.216 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.944 18.903 -5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.677 19.650 -6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.747 20.647 -5.412 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.394 18.511 -4.954 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.793 20.226 -5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.525 18.974 -6.247 1.00 0.00 H new ATOM 1070 N VAL A 78 -1.971 19.436 -9.591 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.132 19.222 -10.432 1.00 0.00 C ATOM 1072 C VAL A 78 -3.306 17.709 -10.477 1.00 0.00 C ATOM 1073 O VAL A 78 -2.510 16.997 -11.089 1.00 0.00 O ATOM 1074 CB VAL A 78 -2.904 19.970 -11.755 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.112 19.841 -12.683 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -2.650 21.468 -11.468 1.00 0.00 C ATOM 0 H VAL A 78 -1.148 18.901 -9.870 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.080 19.629 -10.080 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.038 19.525 -12.246 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.918 20.381 -13.610 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.288 18.789 -12.906 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.992 20.261 -12.195 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.489 21.996 -12.408 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.514 21.892 -10.957 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.768 21.573 -10.837 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.364 17.243 -9.800 1.00 0.00 N ATOM 1087 CA ILE A 79 -4.692 15.835 -9.657 1.00 0.00 C ATOM 1088 C ILE A 79 -5.767 15.407 -10.653 1.00 0.00 C ATOM 1089 O ILE A 79 -6.303 16.230 -11.388 1.00 0.00 O ATOM 1090 CB ILE A 79 -4.989 15.496 -8.169 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -6.462 15.517 -7.729 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.222 16.408 -7.201 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -6.750 14.465 -6.653 1.00 0.00 C ATOM 0 H ILE A 79 -5.027 17.858 -9.328 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.827 15.227 -9.923 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.653 14.460 -8.118 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.713 16.506 -7.346 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.102 15.338 -8.593 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.462 16.133 -6.174 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.151 16.295 -7.366 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.508 17.445 -7.375 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.801 14.513 -6.370 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.524 13.473 -7.044 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.129 14.660 -5.778 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.077 14.108 -10.664 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.073 13.474 -11.509 1.00 0.00 C ATOM 1107 C ASN A 80 -8.352 13.366 -10.690 1.00 0.00 C ATOM 1108 O ASN A 80 -8.297 13.172 -9.475 1.00 0.00 O ATOM 1109 CB ASN A 80 -6.572 12.101 -11.964 1.00 0.00 C ATOM 1110 CG ASN A 80 -5.298 12.229 -12.799 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -4.193 12.123 -12.272 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -5.453 12.462 -14.105 1.00 0.00 N ATOM 0 H ASN A 80 -5.611 13.441 -10.048 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.263 14.056 -12.411 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.378 11.474 -11.093 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.346 11.604 -12.549 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.635 12.559 -14.706 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.390 12.543 -14.501 1.00 0.00 H new ATOM 1119 N THR A 81 -9.503 13.478 -11.360 1.00 0.00 N ATOM 1120 CA THR A 81 -10.801 13.435 -10.705 1.00 0.00 C ATOM 1121 C THR A 81 -11.167 12.168 -9.954 1.00 0.00 C ATOM 1122 O THR A 81 -12.164 12.178 -9.232 1.00 0.00 O ATOM 1123 CB THR A 81 -11.905 13.911 -11.652 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.108 14.136 -10.953 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.148 12.849 -12.719 1.00 0.00 C ATOM 0 H THR A 81 -9.554 13.601 -12.371 1.00 0.00 H new ATOM 0 HA THR A 81 -10.701 14.143 -9.882 1.00 0.00 H new ATOM 0 HB THR A 81 -11.583 14.846 -12.110 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.091 15.030 -10.553 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.934 13.186 -13.395 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.230 12.684 -13.283 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.454 11.918 -12.242 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.393 11.092 -10.091 1.00 0.00 N ATOM 1134 CA ASN A 82 -10.711 9.896 -9.357 1.00 0.00 C ATOM 1135 C ASN A 82 -10.021 10.109 -8.016 1.00 0.00 C ATOM 1136 O ASN A 82 -10.659 10.434 -7.016 1.00 0.00 O ATOM 1137 CB ASN A 82 -10.223 8.658 -10.127 1.00 0.00 C ATOM 1138 CG ASN A 82 -11.055 8.427 -11.385 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -10.617 8.745 -12.490 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -12.260 7.875 -11.220 1.00 0.00 N ATOM 0 H ASN A 82 -9.568 11.035 -10.688 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.777 9.718 -9.217 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.175 8.785 -10.399 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.281 7.780 -9.483 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.857 7.702 -12.029 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.584 7.627 -10.285 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.702 9.920 -8.043 1.00 0.00 N ATOM 1148 CA CYS A 83 -7.800 10.025 -6.902 1.00 0.00 C ATOM 1149 C CYS A 83 -6.303 10.130 -7.242 1.00 0.00 C ATOM 1150 O CYS A 83 -5.506 10.378 -6.338 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.079 8.900 -5.887 1.00 0.00 C ATOM 1152 SG CYS A 83 -8.045 9.378 -4.131 1.00 0.00 S ATOM 0 H CYS A 83 -8.212 9.678 -8.904 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.028 10.990 -6.449 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -9.058 8.474 -6.108 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.345 8.109 -6.041 1.00 0.00 H new ATOM 1157 N GLU A 84 -5.903 9.960 -8.514 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.496 9.963 -8.928 1.00 0.00 C ATOM 1159 C GLU A 84 -3.942 11.386 -9.036 1.00 0.00 C ATOM 1160 O GLU A 84 -4.709 12.333 -8.959 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.403 9.199 -10.263 1.00 0.00 C ATOM 1162 CG GLU A 84 -3.009 8.647 -10.589 1.00 0.00 C ATOM 1163 CD GLU A 84 -3.008 7.940 -11.942 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -3.333 6.733 -11.957 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -2.689 8.621 -12.942 1.00 0.00 O ATOM 0 H GLU A 84 -6.554 9.816 -9.286 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.880 9.468 -8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.111 8.371 -10.242 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.713 9.864 -11.069 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.284 9.461 -10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.697 7.951 -9.810 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.619 11.530 -9.195 1.00 0.00 N ATOM 1173 CA TYR A 85 -1.892 12.790 -9.334 1.00 0.00 C ATOM 1174 C TYR A 85 -1.300 12.868 -10.750 1.00 0.00 C ATOM 1175 O TYR A 85 -0.583 11.955 -11.153 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.812 12.838 -8.240 1.00 0.00 C ATOM 1177 CG TYR A 85 0.254 13.914 -8.371 1.00 0.00 C ATOM 1178 CD1 TYR A 85 -0.082 15.239 -8.713 1.00 0.00 C ATOM 1179 CD2 TYR A 85 1.602 13.581 -8.135 1.00 0.00 C ATOM 1180 CE1 TYR A 85 0.924 16.215 -8.820 1.00 0.00 C ATOM 1181 CE2 TYR A 85 2.607 14.551 -8.264 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.270 15.869 -8.606 1.00 0.00 C ATOM 1183 OH TYR A 85 3.252 16.810 -8.722 1.00 0.00 O ATOM 0 H TYR A 85 -1.997 10.723 -9.232 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.545 13.654 -9.207 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.309 12.968 -7.279 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.314 11.869 -8.213 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.113 15.505 -8.893 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.864 12.572 -7.853 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.662 17.233 -9.067 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.640 14.283 -8.100 1.00 0.00 H new ATOM 0 HH TYR A 85 4.123 16.399 -8.540 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.585 13.950 -11.498 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.103 14.134 -12.867 1.00 0.00 C ATOM 1195 C ALA A 86 0.252 14.848 -12.887 1.00 0.00 C ATOM 1196 O ALA A 86 1.237 14.270 -13.344 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.150 14.873 -13.708 1.00 0.00 C ATOM 0 H ALA A 86 -2.160 14.722 -11.161 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.950 13.152 -13.314 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.776 15.002 -14.724 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.073 14.293 -13.732 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.347 15.850 -13.267 1.00 0.00 H new ATOM 1203 N GLY A 87 0.308 16.096 -12.406 1.00 0.00 N ATOM 1204 CA GLY A 87 1.532 16.889 -12.369 1.00 0.00 C ATOM 1205 C GLY A 87 1.303 18.186 -11.592 1.00 0.00 C ATOM 1206 O GLY A 87 0.161 18.515 -11.279 1.00 0.00 O ATOM 0 H GLY A 87 -0.505 16.583 -12.029 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.332 16.314 -11.902 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.855 17.118 -13.384 1.00 0.00 H new ATOM 1210 N ALA A 88 2.385 18.924 -11.295 1.00 0.00 N ATOM 1211 CA ALA A 88 2.339 20.168 -10.528 1.00 0.00 C ATOM 1212 C ALA A 88 2.929 21.365 -11.276 1.00 0.00 C ATOM 1213 O ALA A 88 3.790 21.211 -12.141 1.00 0.00 O ATOM 1214 CB ALA A 88 3.028 19.929 -9.186 1.00 0.00 C ATOM 0 H ALA A 88 3.327 18.665 -11.588 1.00 0.00 H new ATOM 0 HA ALA A 88 1.296 20.438 -10.366 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.005 20.846 -8.597 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.508 19.138 -8.646 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.063 19.633 -9.356 1.00 0.00 H new ATOM 1220 N ILE A 89 2.443 22.562 -10.903 1.00 0.00 N ATOM 1221 CA ILE A 89 2.794 23.866 -11.459 1.00 0.00 C ATOM 1222 C ILE A 89 2.831 24.912 -10.327 1.00 0.00 C ATOM 1223 O ILE A 89 2.252 24.673 -9.270 1.00 0.00 O ATOM 1224 CB ILE A 89 1.778 24.206 -12.568 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.360 24.347 -11.977 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.819 23.158 -13.690 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.739 24.508 -13.027 1.00 0.00 C ATOM 0 H ILE A 89 1.751 22.641 -10.158 1.00 0.00 H new ATOM 0 HA ILE A 89 3.787 23.859 -11.908 1.00 0.00 H new ATOM 0 HB ILE A 89 2.054 25.165 -13.007 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.142 23.469 -11.370 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.340 25.209 -11.310 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.093 23.421 -14.460 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.817 23.131 -14.127 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.575 22.177 -13.281 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.705 24.601 -12.531 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.548 25.403 -13.620 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.749 23.635 -13.680 1.00 0.00 H new ATOM 1239 N THR A 90 3.485 26.075 -10.515 1.00 0.00 N ATOM 1240 CA THR A 90 3.594 27.091 -9.463 1.00 0.00 C ATOM 1241 C THR A 90 3.943 28.524 -9.921 1.00 0.00 C ATOM 1242 O THR A 90 4.727 28.649 -10.861 1.00 0.00 O ATOM 1243 CB THR A 90 4.702 26.626 -8.496 1.00 0.00 C ATOM 1244 OG1 THR A 90 4.926 27.590 -7.486 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.025 26.308 -9.216 1.00 0.00 C ATOM 0 H THR A 90 3.945 26.329 -11.389 1.00 0.00 H new ATOM 0 HA THR A 90 2.600 27.167 -9.021 1.00 0.00 H new ATOM 0 HB THR A 90 4.345 25.701 -8.043 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.018 27.141 -6.620 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.768 25.986 -8.486 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.862 25.512 -9.943 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.384 27.200 -9.729 1.00 0.00 H new ATOM 1253 N HIS A 91 3.385 29.607 -9.314 1.00 0.00 N ATOM 1254 CA HIS A 91 3.842 30.965 -9.681 1.00 0.00 C ATOM 1255 C HIS A 91 5.189 31.244 -8.970 1.00 0.00 C ATOM 1256 O HIS A 91 5.272 32.127 -8.115 1.00 0.00 O ATOM 1257 CB HIS A 91 2.912 32.162 -9.326 1.00 0.00 C ATOM 1258 CG HIS A 91 1.767 32.443 -10.237 1.00 0.00 C ATOM 1259 ND1 HIS A 91 1.276 33.714 -10.497 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.989 31.600 -10.957 1.00 0.00 C ATOM 1261 CE1 HIS A 91 0.245 33.567 -11.348 1.00 0.00 C ATOM 1262 NE2 HIS A 91 0.030 32.296 -11.684 1.00 0.00 N ATOM 0 H HIS A 91 2.654 29.568 -8.603 1.00 0.00 H new ATOM 0 HA HIS A 91 3.884 30.929 -10.770 1.00 0.00 H new ATOM 0 HB2 HIS A 91 2.511 31.991 -8.327 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.527 33.060 -9.273 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.099 30.526 -10.965 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -0.346 34.391 -11.719 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.672 31.922 -12.323 1.00 0.00 H new ATOM 1270 N THR A 92 6.250 30.493 -9.299 1.00 0.00 N ATOM 1271 CA THR A 92 7.581 30.678 -8.718 1.00 0.00 C ATOM 1272 C THR A 92 8.430 31.554 -9.644 1.00 0.00 C ATOM 1273 O THR A 92 9.251 32.336 -9.170 1.00 0.00 O ATOM 1274 CB THR A 92 8.234 29.335 -8.359 1.00 0.00 C ATOM 1275 OG1 THR A 92 9.268 29.545 -7.421 1.00 0.00 O ATOM 1276 CG2 THR A 92 8.814 28.630 -9.578 1.00 0.00 C ATOM 0 H THR A 92 6.205 29.736 -9.981 1.00 0.00 H new ATOM 0 HA THR A 92 7.494 31.208 -7.769 1.00 0.00 H new ATOM 0 HB THR A 92 7.454 28.700 -7.940 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.356 28.754 -6.849 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.264 27.686 -9.272 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.020 28.437 -10.299 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.574 29.262 -10.037 1.00 0.00 H new ATOM 1284 N GLY A 93 8.219 31.409 -10.961 1.00 0.00 N ATOM 1285 CA GLY A 93 8.886 32.143 -12.023 1.00 0.00 C ATOM 1286 C GLY A 93 7.829 32.926 -12.800 1.00 0.00 C ATOM 1287 O GLY A 93 7.904 34.151 -12.883 1.00 0.00 O ATOM 0 H GLY A 93 7.541 30.739 -11.323 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.631 32.821 -11.606 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.414 31.457 -12.685 1.00 0.00 H new ATOM 1291 N ALA A 94 6.854 32.201 -13.369 1.00 0.00 N ATOM 1292 CA ALA A 94 5.729 32.724 -14.138 1.00 0.00 C ATOM 1293 C ALA A 94 6.145 33.412 -15.443 1.00 0.00 C ATOM 1294 O ALA A 94 7.328 33.524 -15.762 1.00 0.00 O ATOM 1295 CB ALA A 94 4.866 33.638 -13.255 1.00 0.00 C ATOM 0 H ALA A 94 6.834 31.184 -13.298 1.00 0.00 H new ATOM 0 HA ALA A 94 5.130 31.869 -14.450 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.029 34.023 -13.838 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.486 33.070 -12.406 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.470 34.470 -12.893 1.00 0.00 H new ATOM 1301 N SER A 95 5.136 33.860 -16.199 1.00 0.00 N ATOM 1302 CA SER A 95 5.275 34.560 -17.468 1.00 0.00 C ATOM 1303 C SER A 95 4.068 35.490 -17.605 1.00 0.00 C ATOM 1304 O SER A 95 3.314 35.417 -18.573 1.00 0.00 O ATOM 1305 CB SER A 95 5.377 33.540 -18.607 1.00 0.00 C ATOM 1306 OG SER A 95 5.535 34.197 -19.848 1.00 0.00 O ATOM 0 H SER A 95 4.161 33.736 -15.926 1.00 0.00 H new ATOM 0 HA SER A 95 6.185 35.159 -17.511 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.222 32.874 -18.432 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.481 32.920 -18.629 1.00 0.00 H new ATOM 0 HG SER A 95 4.819 34.856 -19.963 1.00 0.00 H new ATOM 1312 N GLY A 96 3.908 36.368 -16.609 1.00 0.00 N ATOM 1313 CA GLY A 96 2.828 37.332 -16.502 1.00 0.00 C ATOM 1314 C GLY A 96 1.908 36.867 -15.379 1.00 0.00 C ATOM 1315 O GLY A 96 1.957 37.410 -14.276 1.00 0.00 O ATOM 0 H GLY A 96 4.560 36.422 -15.826 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.221 38.326 -16.289 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.281 37.401 -17.442 1.00 0.00 H new ATOM 1319 N ASN A 97 1.076 35.857 -15.671 1.00 0.00 N ATOM 1320 CA ASN A 97 0.138 35.259 -14.728 1.00 0.00 C ATOM 1321 C ASN A 97 0.040 33.755 -15.008 1.00 0.00 C ATOM 1322 O ASN A 97 -1.058 33.200 -15.047 1.00 0.00 O ATOM 1323 CB ASN A 97 -1.235 35.946 -14.835 1.00 0.00 C ATOM 1324 CG ASN A 97 -1.168 37.435 -14.501 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -1.127 37.807 -13.331 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -1.159 38.290 -15.528 1.00 0.00 N ATOM 0 H ASN A 97 1.041 35.427 -16.595 1.00 0.00 H new ATOM 0 HA ASN A 97 0.493 35.401 -13.707 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.624 35.820 -15.846 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.937 35.456 -14.160 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.117 39.294 -15.355 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.194 37.938 -16.485 1.00 0.00 H new ATOM 1333 N ASN A 98 1.195 33.100 -15.190 1.00 0.00 N ATOM 1334 CA ASN A 98 1.302 31.677 -15.485 1.00 0.00 C ATOM 1335 C ASN A 98 1.977 30.927 -14.338 1.00 0.00 C ATOM 1336 O ASN A 98 2.659 31.520 -13.506 1.00 0.00 O ATOM 1337 CB ASN A 98 2.081 31.482 -16.793 1.00 0.00 C ATOM 1338 CG ASN A 98 1.288 31.975 -18.002 1.00 0.00 C ATOM 1339 OD1 ASN A 98 0.627 31.185 -18.673 1.00 0.00 O ATOM 1340 ND2 ASN A 98 1.351 33.277 -18.285 1.00 0.00 N ATOM 0 H ASN A 98 2.101 33.564 -15.133 1.00 0.00 H new ATOM 0 HA ASN A 98 0.299 31.266 -15.601 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.028 32.018 -16.736 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.320 30.426 -16.920 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.839 33.651 -19.084 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.911 33.899 -17.702 1.00 0.00 H new ATOM 1347 N PHE A 99 1.766 29.607 -14.317 1.00 0.00 N ATOM 1348 CA PHE A 99 2.307 28.677 -13.342 1.00 0.00 C ATOM 1349 C PHE A 99 3.359 27.826 -14.054 1.00 0.00 C ATOM 1350 O PHE A 99 2.999 26.993 -14.883 1.00 0.00 O ATOM 1351 CB PHE A 99 1.169 27.769 -12.838 1.00 0.00 C ATOM 1352 CG PHE A 99 0.165 28.468 -11.954 1.00 0.00 C ATOM 1353 CD1 PHE A 99 -0.836 29.289 -12.509 1.00 0.00 C ATOM 1354 CD2 PHE A 99 0.241 28.293 -10.561 1.00 0.00 C ATOM 1355 CE1 PHE A 99 -1.739 29.957 -11.663 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -0.659 28.964 -9.725 1.00 0.00 C ATOM 1357 CZ PHE A 99 -1.630 29.800 -10.270 1.00 0.00 C ATOM 0 H PHE A 99 1.185 29.144 -15.016 1.00 0.00 H new ATOM 0 HA PHE A 99 2.749 29.205 -12.497 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.648 27.347 -13.698 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.602 26.934 -12.287 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.910 29.405 -13.580 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.992 27.643 -10.137 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.511 30.586 -12.080 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.600 28.833 -8.655 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.305 30.333 -9.617 1.00 0.00 H new ATOM 1367 N VAL A 100 4.647 28.016 -13.735 1.00 0.00 N ATOM 1368 CA VAL A 100 5.724 27.245 -14.347 1.00 0.00 C ATOM 1369 C VAL A 100 5.811 25.875 -13.680 1.00 0.00 C ATOM 1370 O VAL A 100 5.322 25.676 -12.574 1.00 0.00 O ATOM 1371 CB VAL A 100 7.070 27.984 -14.334 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.016 29.193 -15.269 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.501 28.389 -12.925 1.00 0.00 C ATOM 0 H VAL A 100 4.964 28.703 -13.051 1.00 0.00 H new ATOM 0 HA VAL A 100 5.486 27.108 -15.402 1.00 0.00 H new ATOM 0 HB VAL A 100 7.829 27.292 -14.698 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.976 29.709 -15.252 1.00 0.00 H new ATOM 0 HG12 VAL A 100 6.802 28.859 -16.284 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.232 29.874 -14.938 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.458 28.908 -12.972 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.751 29.050 -12.491 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.601 27.498 -12.305 1.00 0.00 H new ATOM 1383 N GLY A 101 6.459 24.936 -14.365 1.00 0.00 N ATOM 1384 CA GLY A 101 6.613 23.556 -13.945 1.00 0.00 C ATOM 1385 C GLY A 101 7.208 23.330 -12.556 1.00 0.00 C ATOM 1386 O GLY A 101 8.088 24.068 -12.117 1.00 0.00 O ATOM 0 H GLY A 101 6.906 25.128 -15.261 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.634 23.077 -13.979 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.243 23.046 -14.674 1.00 0.00 H new ATOM 1390 N CYS A 102 6.691 22.292 -11.883 1.00 0.00 N ATOM 1391 CA CYS A 102 7.102 21.819 -10.569 1.00 0.00 C ATOM 1392 C CYS A 102 7.517 20.357 -10.770 1.00 0.00 C ATOM 1393 O CYS A 102 7.171 19.743 -11.775 1.00 0.00 O ATOM 1394 CB CYS A 102 6.009 22.033 -9.521 1.00 0.00 C ATOM 1395 SG CYS A 102 6.466 21.876 -7.768 1.00 0.00 S ATOM 0 H CYS A 102 5.931 21.733 -12.271 1.00 0.00 H new ATOM 0 HA CYS A 102 7.942 22.384 -10.166 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.594 23.030 -9.670 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.209 21.321 -9.723 1.00 0.00 H new ATOM 1400 N SER A 103 8.242 19.784 -9.813 1.00 0.00 N ATOM 1401 CA SER A 103 8.784 18.422 -9.897 1.00 0.00 C ATOM 1402 C SER A 103 9.760 18.321 -11.077 1.00 0.00 C ATOM 1403 O SER A 103 9.820 17.302 -11.765 1.00 0.00 O ATOM 1404 CB SER A 103 7.696 17.334 -10.012 1.00 0.00 C ATOM 1405 OG SER A 103 8.250 16.072 -9.706 1.00 0.00 O ATOM 0 H SER A 103 8.476 20.258 -8.940 1.00 0.00 H new ATOM 0 HA SER A 103 9.307 18.235 -8.959 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.874 17.555 -9.332 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.282 17.325 -11.020 1.00 0.00 H new ATOM 0 HG SER A 103 8.966 15.866 -10.342 1.00 0.00 H new ATOM 1411 N GLY A 104 10.527 19.392 -11.309 1.00 0.00 N ATOM 1412 CA GLY A 104 11.493 19.494 -12.392 1.00 0.00 C ATOM 1413 C GLY A 104 10.825 19.371 -13.768 1.00 0.00 C ATOM 1414 O GLY A 104 11.423 18.826 -14.695 1.00 0.00 O ATOM 0 H GLY A 104 10.487 20.230 -10.729 1.00 0.00 H new ATOM 0 HA2 GLY A 104 12.014 20.449 -12.325 1.00 0.00 H new ATOM 0 HA3 GLY A 104 12.245 18.713 -12.282 1.00 0.00 H new ATOM 1418 N THR A 105 9.587 19.871 -13.894 1.00 0.00 N ATOM 1419 CA THR A 105 8.815 19.846 -15.130 1.00 0.00 C ATOM 1420 C THR A 105 9.257 21.002 -16.028 1.00 0.00 C ATOM 1421 O THR A 105 9.462 22.117 -15.553 1.00 0.00 O ATOM 1422 CB THR A 105 7.317 19.919 -14.786 1.00 0.00 C ATOM 1423 OG1 THR A 105 6.899 18.664 -14.290 1.00 0.00 O ATOM 1424 CG2 THR A 105 6.408 20.302 -15.951 1.00 0.00 C ATOM 0 H THR A 105 9.091 20.312 -13.119 1.00 0.00 H new ATOM 0 HA THR A 105 8.990 18.919 -15.677 1.00 0.00 H new ATOM 0 HB THR A 105 7.222 20.715 -14.047 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.895 18.684 -13.310 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.373 20.327 -15.611 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.691 21.286 -16.325 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.510 19.567 -16.749 1.00 0.00 H new ATOM 1432 N ASN A 106 9.406 20.722 -17.330 1.00 0.00 N ATOM 1433 CA ASN A 106 9.803 21.692 -18.340 1.00 0.00 C ATOM 1434 C ASN A 106 9.466 21.124 -19.718 1.00 0.00 C ATOM 1435 O ASN A 106 8.432 21.558 -20.272 1.00 0.00 O ATOM 1436 CB ASN A 106 11.298 22.025 -18.196 1.00 0.00 C ATOM 1437 CG ASN A 106 11.754 23.165 -19.110 1.00 0.00 C ATOM 1438 OD1 ASN A 106 11.017 23.621 -19.982 1.00 0.00 O ATOM 1439 ND2 ASN A 106 12.986 23.637 -18.899 1.00 0.00 N ATOM 1440 OXT ASN A 106 10.137 20.144 -20.111 1.00 0.00 O ATOM 0 H ASN A 106 9.248 19.789 -17.712 1.00 0.00 H new ATOM 0 HA ASN A 106 9.258 22.627 -18.210 1.00 0.00 H new ATOM 0 HB2 ASN A 106 11.505 22.294 -17.160 1.00 0.00 H new ATOM 0 HB3 ASN A 106 11.885 21.134 -18.418 1.00 0.00 H new ATOM 0 HD21 ASN A 106 13.344 24.402 -19.471 1.00 0.00 H new ATOM 0 HD22 ASN A 106 13.568 23.233 -18.166 1.00 0.00 H new