USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 576 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 86 MET CE :methyl -152:sc= -4.37! (180deg=-5.73!) USER MOD Set 1.2: A 90 TYR OH : rot -19:sc= 0.0178 USER MOD Set 2.1: A 68 HIS : no HD1:sc= -3.57! C(o=-3.6!,f=-3!) USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 65 ASN : amide:sc= 1.03 K(o=2.3,f=-0.67) USER MOD Set 3.2: A 71 THR OG1 : rot -156:sc= 1.25 USER MOD Set 4.1: A 4 ASN : amide:sc= 0.652 K(o=1.4,f=-3.9) USER MOD Set 4.2: A 89 ASN : amide:sc= 0.726 K(o=1.4,f=0.33) USER MOD Single : A 7 ASN : amide:sc= -0.0176 X(o=-0.018,f=-0.025!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.939 K(o=0.94,f=-7.6!) USER MOD Single : A 29 HIS : no HD1:sc= -0.604 K(o=-0.6,f=0.14) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 100:sc=-0.00135 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.5! K(o=-1.5!,f=-0.34) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0.066) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.403 K(o=0.4,f=-4.1) USER MOD Single : A 45 ASN : amide:sc= -2.43! C(o=-2.4!,f=-7.3!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -160:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0196 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -167:sc= 0.0397 USER MOD Single : A 73 SER OG : rot -146:sc= 0.1! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 84 SER OG : rot 68:sc= -1.32 USER MOD Single : A 85 SER OG : rot 180:sc= -0.0568 USER MOD Single : A 94 ASN : amide:sc= -1.88! C(o=-1.9!,f=-3!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N CYS A 3 11.684 -5.082 -1.150 1.00 0.00 N ATOM 34 CA CYS A 3 10.399 -5.417 -0.551 1.00 0.00 C ATOM 35 C CYS A 3 9.610 -6.326 -1.492 1.00 0.00 C ATOM 36 O CYS A 3 9.607 -7.545 -1.312 1.00 0.00 O ATOM 37 CB CYS A 3 9.620 -4.143 -0.221 1.00 0.00 C ATOM 38 SG CYS A 3 10.471 -3.040 0.953 1.00 0.00 S ATOM 0 HA CYS A 3 10.564 -5.955 0.382 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.429 -3.596 -1.144 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.650 -4.419 0.193 1.00 0.00 H new ATOM 42 N ASN A 4 8.944 -5.737 -2.492 1.00 0.00 N ATOM 43 CA ASN A 4 8.195 -6.504 -3.489 1.00 0.00 C ATOM 44 C ASN A 4 7.220 -7.499 -2.861 1.00 0.00 C ATOM 45 O ASN A 4 7.424 -8.709 -2.950 1.00 0.00 O ATOM 46 CB ASN A 4 9.169 -7.261 -4.403 1.00 0.00 C ATOM 47 CG ASN A 4 9.915 -6.359 -5.363 1.00 0.00 C ATOM 48 OD1 ASN A 4 9.509 -6.192 -6.509 1.00 0.00 O ATOM 49 ND2 ASN A 4 11.006 -5.769 -4.903 1.00 0.00 N ATOM 0 H ASN A 4 8.910 -4.727 -2.631 1.00 0.00 H new ATOM 0 HA ASN A 4 7.608 -5.787 -4.063 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.890 -7.800 -3.787 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.616 -8.008 -4.973 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.544 -5.148 -5.508 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.309 -5.935 -3.943 1.00 0.00 H new ATOM 55 N PHE A 5 6.164 -7.001 -2.228 1.00 0.00 N ATOM 56 CA PHE A 5 5.172 -7.880 -1.616 1.00 0.00 C ATOM 57 C PHE A 5 4.573 -8.822 -2.673 1.00 0.00 C ATOM 58 O PHE A 5 4.420 -10.019 -2.446 1.00 0.00 O ATOM 59 CB PHE A 5 4.060 -7.069 -0.932 1.00 0.00 C ATOM 60 CG PHE A 5 3.070 -6.443 -1.871 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.395 -5.314 -2.603 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.810 -6.998 -2.025 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.480 -4.749 -3.470 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.893 -6.441 -2.888 1.00 0.00 C ATOM 65 CZ PHE A 5 1.227 -5.314 -3.612 1.00 0.00 C ATOM 0 H PHE A 5 5.973 -6.004 -2.125 1.00 0.00 H new ATOM 0 HA PHE A 5 5.672 -8.476 -0.853 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.524 -7.722 -0.244 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.519 -6.283 -0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.374 -4.870 -2.495 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.543 -7.879 -1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.743 -3.868 -4.036 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.085 -6.885 -2.998 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.509 -4.874 -4.289 1.00 0.00 H new ATOM 74 N ALA A 6 4.301 -8.259 -3.850 1.00 0.00 N ATOM 75 CA ALA A 6 3.698 -8.984 -4.969 1.00 0.00 C ATOM 76 C ALA A 6 4.626 -10.040 -5.558 1.00 0.00 C ATOM 77 O ALA A 6 4.165 -10.979 -6.207 1.00 0.00 O ATOM 78 CB ALA A 6 3.300 -7.994 -6.046 1.00 0.00 C ATOM 0 H ALA A 6 4.494 -7.279 -4.056 1.00 0.00 H new ATOM 0 HA ALA A 6 2.823 -9.510 -4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.850 -8.528 -6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.580 -7.284 -5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.184 -7.457 -6.391 1.00 0.00 H new ATOM 84 N ASN A 7 5.924 -9.882 -5.329 1.00 0.00 N ATOM 85 CA ASN A 7 6.928 -10.811 -5.851 1.00 0.00 C ATOM 86 C ASN A 7 6.611 -12.244 -5.431 1.00 0.00 C ATOM 87 O ASN A 7 6.863 -13.198 -6.168 1.00 0.00 O ATOM 88 CB ASN A 7 8.315 -10.416 -5.336 1.00 0.00 C ATOM 89 CG ASN A 7 9.462 -10.990 -6.153 1.00 0.00 C ATOM 90 OD1 ASN A 7 9.356 -12.061 -6.747 1.00 0.00 O ATOM 91 ND2 ASN A 7 10.576 -10.273 -6.183 1.00 0.00 N ATOM 0 H ASN A 7 6.312 -9.114 -4.781 1.00 0.00 H new ATOM 0 HA ASN A 7 6.914 -10.759 -6.940 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.394 -9.329 -5.331 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.416 -10.748 -4.303 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.382 -10.606 -6.712 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.627 -9.389 -5.678 1.00 0.00 H new ATOM 97 N SER A 8 6.047 -12.388 -4.244 1.00 0.00 N ATOM 98 CA SER A 8 5.697 -13.699 -3.733 1.00 0.00 C ATOM 99 C SER A 8 4.297 -13.696 -3.128 1.00 0.00 C ATOM 100 O SER A 8 4.001 -14.471 -2.221 1.00 0.00 O ATOM 101 CB SER A 8 6.733 -14.144 -2.702 1.00 0.00 C ATOM 102 OG SER A 8 8.041 -14.115 -3.257 1.00 0.00 O ATOM 0 H SER A 8 5.823 -11.614 -3.618 1.00 0.00 H new ATOM 0 HA SER A 8 5.695 -14.407 -4.561 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.688 -13.492 -1.830 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.501 -15.152 -2.358 1.00 0.00 H new ATOM 0 HG SER A 8 8.690 -14.402 -2.581 1.00 0.00 H new ATOM 107 N CYS A 9 3.436 -12.821 -3.629 1.00 0.00 N ATOM 108 CA CYS A 9 2.069 -12.749 -3.131 1.00 0.00 C ATOM 109 C CYS A 9 1.079 -13.024 -4.248 1.00 0.00 C ATOM 110 O CYS A 9 1.215 -12.505 -5.357 1.00 0.00 O ATOM 111 CB CYS A 9 1.764 -11.391 -2.500 1.00 0.00 C ATOM 112 SG CYS A 9 1.024 -11.510 -0.836 1.00 0.00 S ATOM 0 H CYS A 9 3.656 -12.158 -4.372 1.00 0.00 H new ATOM 0 HA CYS A 9 1.969 -13.512 -2.360 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.686 -10.813 -2.438 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.086 -10.841 -3.152 1.00 0.00 H new ATOM 116 N THR A 10 0.093 -13.848 -3.951 1.00 0.00 N ATOM 117 CA THR A 10 -0.928 -14.201 -4.917 1.00 0.00 C ATOM 118 C THR A 10 -2.321 -13.984 -4.342 1.00 0.00 C ATOM 119 O THR A 10 -2.513 -14.059 -3.127 1.00 0.00 O ATOM 120 CB THR A 10 -0.788 -15.671 -5.357 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.655 -16.520 -4.204 1.00 0.00 O ATOM 122 CG2 THR A 10 0.412 -15.855 -6.271 1.00 0.00 C ATOM 0 H THR A 10 -0.022 -14.289 -3.039 1.00 0.00 H new ATOM 0 HA THR A 10 -0.792 -13.553 -5.783 1.00 0.00 H new ATOM 0 HB THR A 10 -1.687 -15.946 -5.909 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.568 -17.453 -4.493 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.487 -16.901 -6.566 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.291 -15.235 -7.159 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.319 -15.561 -5.744 1.00 0.00 H new ATOM 130 N GLY A 11 -3.278 -13.712 -5.218 1.00 0.00 N ATOM 131 CA GLY A 11 -4.650 -13.496 -4.794 1.00 0.00 C ATOM 132 C GLY A 11 -4.805 -12.275 -3.910 1.00 0.00 C ATOM 133 O GLY A 11 -5.278 -12.376 -2.778 1.00 0.00 O ATOM 0 H GLY A 11 -3.128 -13.636 -6.224 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.284 -13.385 -5.673 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.002 -14.376 -4.256 1.00 0.00 H new ATOM 137 N VAL A 12 -4.408 -11.121 -4.426 1.00 0.00 N ATOM 138 CA VAL A 12 -4.504 -9.879 -3.671 1.00 0.00 C ATOM 139 C VAL A 12 -5.662 -9.025 -4.177 1.00 0.00 C ATOM 140 O VAL A 12 -5.827 -8.830 -5.385 1.00 0.00 O ATOM 141 CB VAL A 12 -3.190 -9.064 -3.728 1.00 0.00 C ATOM 142 CG1 VAL A 12 -2.099 -9.756 -2.929 1.00 0.00 C ATOM 143 CG2 VAL A 12 -2.739 -8.854 -5.165 1.00 0.00 C ATOM 0 H VAL A 12 -4.017 -11.018 -5.362 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.687 -10.153 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.382 -8.086 -3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.182 -9.169 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.413 -9.849 -1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.918 -10.748 -3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.813 -8.278 -5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.570 -9.821 -5.638 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.510 -8.312 -5.713 1.00 0.00 H new ATOM 153 N GLU A 13 -6.471 -8.533 -3.254 1.00 0.00 N ATOM 154 CA GLU A 13 -7.616 -7.700 -3.603 1.00 0.00 C ATOM 155 C GLU A 13 -7.673 -6.465 -2.718 1.00 0.00 C ATOM 156 O GLU A 13 -7.141 -6.466 -1.604 1.00 0.00 O ATOM 157 CB GLU A 13 -8.927 -8.474 -3.464 1.00 0.00 C ATOM 158 CG GLU A 13 -9.026 -9.692 -4.361 1.00 0.00 C ATOM 159 CD GLU A 13 -10.415 -10.288 -4.355 1.00 0.00 C ATOM 160 OE1 GLU A 13 -11.248 -9.865 -5.186 1.00 0.00 O ATOM 161 OE2 GLU A 13 -10.686 -11.170 -3.517 1.00 0.00 O ATOM 0 H GLU A 13 -6.358 -8.695 -2.253 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.491 -7.398 -4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.042 -8.790 -2.427 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.757 -7.804 -3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.755 -9.415 -5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.308 -10.443 -4.033 1.00 0.00 H new ATOM 166 N LEU A 14 -8.332 -5.425 -3.210 1.00 0.00 N ATOM 167 CA LEU A 14 -8.470 -4.183 -2.471 1.00 0.00 C ATOM 168 C LEU A 14 -9.936 -3.851 -2.256 1.00 0.00 C ATOM 169 O LEU A 14 -10.724 -3.832 -3.203 1.00 0.00 O ATOM 170 CB LEU A 14 -7.778 -3.037 -3.215 1.00 0.00 C ATOM 171 CG LEU A 14 -7.933 -1.646 -2.588 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.583 -1.660 -1.110 1.00 0.00 C ATOM 173 CD2 LEU A 14 -7.052 -0.665 -3.310 1.00 0.00 C ATOM 0 H LEU A 14 -8.782 -5.420 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.993 -4.310 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.715 -3.266 -3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.167 -3.002 -4.233 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.977 -1.346 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.704 -0.658 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.244 -2.350 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.549 -1.982 -0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.164 0.323 -2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.012 -0.983 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.340 -0.622 -4.360 1.00 0.00 H new ATOM 184 N TYR A 15 -10.291 -3.600 -1.007 1.00 0.00 N ATOM 185 CA TYR A 15 -11.655 -3.258 -0.655 1.00 0.00 C ATOM 186 C TYR A 15 -11.665 -2.016 0.234 1.00 0.00 C ATOM 187 O TYR A 15 -11.409 -2.096 1.435 1.00 0.00 O ATOM 188 CB TYR A 15 -12.313 -4.440 0.063 1.00 0.00 C ATOM 189 CG TYR A 15 -13.814 -4.322 0.202 1.00 0.00 C ATOM 190 CD1 TYR A 15 -14.653 -4.701 -0.838 1.00 0.00 C ATOM 191 CD2 TYR A 15 -14.392 -3.844 1.371 1.00 0.00 C ATOM 192 CE1 TYR A 15 -16.024 -4.606 -0.717 1.00 0.00 C ATOM 193 CE2 TYR A 15 -15.765 -3.748 1.499 1.00 0.00 C ATOM 194 CZ TYR A 15 -16.574 -4.129 0.451 1.00 0.00 C ATOM 195 OH TYR A 15 -17.943 -4.043 0.576 1.00 0.00 O ATOM 0 H TYR A 15 -9.647 -3.628 -0.216 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.221 -3.040 -1.561 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.080 -5.356 -0.480 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -11.874 -4.538 1.056 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.225 -5.076 -1.756 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -13.759 -3.543 2.193 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -16.663 -4.905 -1.535 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -16.201 -3.377 2.415 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.169 -3.688 1.461 1.00 0.00 H new ATOM 204 N GLY A 16 -11.928 -0.864 -0.369 1.00 0.00 N ATOM 205 CA GLY A 16 -11.971 0.382 0.381 1.00 0.00 C ATOM 206 C GLY A 16 -10.588 0.929 0.689 1.00 0.00 C ATOM 207 O GLY A 16 -10.227 2.011 0.237 1.00 0.00 O ATOM 0 H GLY A 16 -12.113 -0.767 -1.367 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.532 1.124 -0.187 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.510 0.221 1.315 1.00 0.00 H new ATOM 211 N TYR A 17 -9.821 0.183 1.473 1.00 0.00 N ATOM 212 CA TYR A 17 -8.469 0.582 1.845 1.00 0.00 C ATOM 213 C TYR A 17 -7.714 -0.563 2.525 1.00 0.00 C ATOM 214 O TYR A 17 -6.759 -0.332 3.276 1.00 0.00 O ATOM 215 CB TYR A 17 -8.484 1.832 2.742 1.00 0.00 C ATOM 216 CG TYR A 17 -9.481 1.789 3.885 1.00 0.00 C ATOM 217 CD1 TYR A 17 -9.292 0.947 4.969 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.603 2.611 3.882 1.00 0.00 C ATOM 219 CE1 TYR A 17 -10.189 0.921 6.019 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.508 2.590 4.928 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.297 1.743 5.995 1.00 0.00 C ATOM 222 OH TYR A 17 -12.184 1.721 7.049 1.00 0.00 O ATOM 0 H TYR A 17 -10.116 -0.710 1.867 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.940 0.831 0.925 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.486 1.976 3.156 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.701 2.702 2.123 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.428 0.300 4.993 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.771 3.277 3.049 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.024 0.259 6.856 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.375 3.234 4.909 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.909 2.358 6.880 1.00 0.00 H new ATOM 231 N ILE A 18 -8.140 -1.795 2.260 1.00 0.00 N ATOM 232 CA ILE A 18 -7.492 -2.971 2.835 1.00 0.00 C ATOM 233 C ILE A 18 -6.989 -3.900 1.735 1.00 0.00 C ATOM 234 O ILE A 18 -7.700 -4.175 0.768 1.00 0.00 O ATOM 235 CB ILE A 18 -8.426 -3.761 3.780 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.724 -4.153 3.067 1.00 0.00 C ATOM 237 CG2 ILE A 18 -8.723 -2.948 5.031 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.640 -5.026 3.899 1.00 0.00 C ATOM 0 H ILE A 18 -8.931 -2.005 1.651 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.652 -2.602 3.424 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.917 -4.678 4.076 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.260 -3.247 2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.476 -4.678 2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.382 -3.517 5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.791 -2.730 5.553 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.209 -2.013 4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.537 -5.261 3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.124 -5.950 4.161 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.919 -4.496 4.810 1.00 0.00 H new ATOM 249 N LEU A 19 -5.757 -4.365 1.879 1.00 0.00 N ATOM 250 CA LEU A 19 -5.156 -5.260 0.902 1.00 0.00 C ATOM 251 C LEU A 19 -4.883 -6.605 1.538 1.00 0.00 C ATOM 252 O LEU A 19 -4.063 -6.712 2.441 1.00 0.00 O ATOM 253 CB LEU A 19 -3.839 -4.677 0.377 1.00 0.00 C ATOM 254 CG LEU A 19 -3.677 -4.684 -1.141 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.738 -6.101 -1.692 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.743 -3.813 -1.775 1.00 0.00 C ATOM 0 H LEU A 19 -5.152 -4.136 2.667 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.851 -5.378 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.750 -3.649 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.013 -5.237 0.816 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.696 -4.278 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.620 -6.076 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.937 -6.697 -1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.701 -6.547 -1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.623 -3.821 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.729 -4.198 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.645 -2.792 -1.407 1.00 0.00 H new ATOM 267 N ARG A 20 -5.565 -7.624 1.081 1.00 0.00 N ATOM 268 CA ARG A 20 -5.359 -8.949 1.619 1.00 0.00 C ATOM 269 C ARG A 20 -4.913 -9.887 0.516 1.00 0.00 C ATOM 270 O ARG A 20 -5.408 -9.812 -0.610 1.00 0.00 O ATOM 271 CB ARG A 20 -6.634 -9.477 2.271 1.00 0.00 C ATOM 272 CG ARG A 20 -6.456 -10.837 2.923 1.00 0.00 C ATOM 273 CD ARG A 20 -7.515 -11.818 2.443 1.00 0.00 C ATOM 274 NE ARG A 20 -7.394 -13.126 3.081 1.00 0.00 N ATOM 275 CZ ARG A 20 -8.397 -13.743 3.706 1.00 0.00 C ATOM 276 NH1 ARG A 20 -9.610 -13.195 3.727 1.00 0.00 N ATOM 277 NH2 ARG A 20 -8.194 -14.920 4.279 1.00 0.00 N ATOM 0 H ARG A 20 -6.265 -7.565 0.341 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.583 -8.895 2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.972 -8.763 3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.419 -9.543 1.517 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.464 -11.227 2.693 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.515 -10.735 4.007 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.504 -11.408 2.646 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.434 -11.935 1.362 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.489 -13.595 3.046 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.774 -12.301 3.264 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.376 -13.669 4.206 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.271 -15.353 4.242 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.960 -15.393 4.758 1.00 0.00 H new ATOM 288 N GLY A 21 -3.983 -10.762 0.841 1.00 0.00 N ATOM 289 CA GLY A 21 -3.494 -11.701 -0.135 1.00 0.00 C ATOM 290 C GLY A 21 -2.678 -12.798 0.498 1.00 0.00 C ATOM 291 O GLY A 21 -2.529 -12.842 1.719 1.00 0.00 O ATOM 0 H GLY A 21 -3.557 -10.839 1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.336 -12.139 -0.671 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.886 -11.175 -0.871 1.00 0.00 H new ATOM 295 N ASP A 22 -2.150 -13.679 -0.331 1.00 0.00 N ATOM 296 CA ASP A 22 -1.346 -14.789 0.145 1.00 0.00 C ATOM 297 C ASP A 22 0.113 -14.592 -0.230 1.00 0.00 C ATOM 298 O ASP A 22 0.482 -14.734 -1.396 1.00 0.00 O ATOM 299 CB ASP A 22 -1.850 -16.105 -0.451 1.00 0.00 C ATOM 300 CG ASP A 22 -3.248 -16.469 0.004 1.00 0.00 C ATOM 301 OD1 ASP A 22 -4.223 -16.000 -0.619 1.00 0.00 O ATOM 302 OD2 ASP A 22 -3.380 -17.248 0.971 1.00 0.00 O ATOM 0 H ASP A 22 -2.265 -13.647 -1.344 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.432 -14.828 1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.836 -16.033 -1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.165 -16.907 -0.176 1.00 0.00 H new ATOM 306 N CYS A 23 0.943 -14.295 0.755 1.00 0.00 N ATOM 307 CA CYS A 23 2.367 -14.097 0.515 1.00 0.00 C ATOM 308 C CYS A 23 3.127 -15.323 1.005 1.00 0.00 C ATOM 309 O CYS A 23 2.905 -15.796 2.117 1.00 0.00 O ATOM 310 CB CYS A 23 2.888 -12.849 1.244 1.00 0.00 C ATOM 311 SG CYS A 23 2.593 -11.235 0.423 1.00 0.00 S ATOM 0 H CYS A 23 0.659 -14.185 1.728 1.00 0.00 H new ATOM 0 HA CYS A 23 2.522 -13.954 -0.554 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.431 -12.817 2.233 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.962 -12.965 1.392 1.00 0.00 H new ATOM 315 N ILE A 24 4.027 -15.826 0.173 1.00 0.00 N ATOM 316 CA ILE A 24 4.806 -17.016 0.497 1.00 0.00 C ATOM 317 C ILE A 24 5.810 -16.742 1.608 1.00 0.00 C ATOM 318 O ILE A 24 6.520 -15.739 1.585 1.00 0.00 O ATOM 319 CB ILE A 24 5.552 -17.542 -0.750 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.551 -17.879 -1.861 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.396 -18.758 -0.404 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.191 -18.445 -3.110 1.00 0.00 C ATOM 0 H ILE A 24 4.238 -15.425 -0.741 1.00 0.00 H new ATOM 0 HA ILE A 24 4.103 -17.774 0.843 1.00 0.00 H new ATOM 0 HB ILE A 24 6.221 -16.759 -1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.826 -18.597 -1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.998 -16.977 -2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.911 -19.110 -1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.130 -18.487 0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.753 -19.550 -0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.419 -18.658 -3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.895 -17.720 -3.519 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.720 -19.365 -2.863 1.00 0.00 H new ATOM 333 N ASN A 25 5.859 -17.641 2.582 1.00 0.00 N ATOM 334 CA ASN A 25 6.784 -17.499 3.694 1.00 0.00 C ATOM 335 C ASN A 25 8.063 -18.283 3.410 1.00 0.00 C ATOM 336 O ASN A 25 8.202 -18.865 2.334 1.00 0.00 O ATOM 337 CB ASN A 25 6.134 -17.955 5.011 1.00 0.00 C ATOM 338 CG ASN A 25 6.131 -19.456 5.208 1.00 0.00 C ATOM 339 OD1 ASN A 25 7.023 -20.009 5.846 1.00 0.00 O ATOM 340 ND2 ASN A 25 5.134 -20.125 4.665 1.00 0.00 N ATOM 0 H ASN A 25 5.270 -18.473 2.623 1.00 0.00 H new ATOM 0 HA ASN A 25 7.041 -16.445 3.804 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.661 -17.490 5.844 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.106 -17.593 5.042 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.084 -21.139 4.767 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.412 -19.629 4.142 1.00 0.00 H new ATOM 346 N GLU A 26 8.979 -18.307 4.367 1.00 0.00 N ATOM 347 CA GLU A 26 10.254 -19.008 4.205 1.00 0.00 C ATOM 348 C GLU A 26 10.049 -20.475 3.817 1.00 0.00 C ATOM 349 O GLU A 26 10.787 -21.027 3.001 1.00 0.00 O ATOM 350 CB GLU A 26 11.058 -18.922 5.504 1.00 0.00 C ATOM 351 CG GLU A 26 12.380 -19.664 5.453 1.00 0.00 C ATOM 352 CD GLU A 26 13.369 -19.033 4.490 1.00 0.00 C ATOM 353 OE1 GLU A 26 13.278 -19.297 3.273 1.00 0.00 O ATOM 354 OE2 GLU A 26 14.246 -18.268 4.946 1.00 0.00 O ATOM 0 H GLU A 26 8.866 -17.848 5.271 1.00 0.00 H new ATOM 0 HA GLU A 26 10.802 -18.524 3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.248 -17.874 5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.457 -19.324 6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.817 -19.689 6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.201 -20.698 5.158 1.00 0.00 H new ATOM 359 N ASP A 27 9.025 -21.082 4.395 1.00 0.00 N ATOM 360 CA ASP A 27 8.695 -22.481 4.144 1.00 0.00 C ATOM 361 C ASP A 27 8.418 -22.745 2.668 1.00 0.00 C ATOM 362 O ASP A 27 8.684 -23.835 2.163 1.00 0.00 O ATOM 363 CB ASP A 27 7.481 -22.880 4.979 1.00 0.00 C ATOM 364 CG ASP A 27 7.095 -24.332 4.810 1.00 0.00 C ATOM 365 OD1 ASP A 27 7.894 -25.216 5.185 1.00 0.00 O ATOM 366 OD2 ASP A 27 5.986 -24.598 4.308 1.00 0.00 O ATOM 0 H ASP A 27 8.397 -20.620 5.053 1.00 0.00 H new ATOM 0 HA ASP A 27 9.557 -23.083 4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.692 -22.687 6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.635 -22.251 4.702 1.00 0.00 H new ATOM 370 N GLY A 28 7.911 -21.740 1.968 1.00 0.00 N ATOM 371 CA GLY A 28 7.609 -21.913 0.558 1.00 0.00 C ATOM 372 C GLY A 28 6.118 -21.950 0.289 1.00 0.00 C ATOM 373 O GLY A 28 5.689 -22.053 -0.860 1.00 0.00 O ATOM 0 H GLY A 28 7.704 -20.815 2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.058 -21.098 -0.010 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.063 -22.838 0.202 1.00 0.00 H new ATOM 377 N HIS A 29 5.327 -21.865 1.346 1.00 0.00 N ATOM 378 CA HIS A 29 3.875 -21.879 1.210 1.00 0.00 C ATOM 379 C HIS A 29 3.297 -20.483 1.400 1.00 0.00 C ATOM 380 O HIS A 29 3.759 -19.717 2.248 1.00 0.00 O ATOM 381 CB HIS A 29 3.245 -22.843 2.218 1.00 0.00 C ATOM 382 CG HIS A 29 3.327 -24.279 1.805 1.00 0.00 C ATOM 383 ND1 HIS A 29 2.277 -24.956 1.224 1.00 0.00 N ATOM 384 CD2 HIS A 29 4.340 -25.169 1.894 1.00 0.00 C ATOM 385 CE1 HIS A 29 2.641 -26.201 0.980 1.00 0.00 C ATOM 386 NE2 HIS A 29 3.890 -26.354 1.377 1.00 0.00 N ATOM 0 H HIS A 29 5.662 -21.786 2.306 1.00 0.00 H new ATOM 0 HA HIS A 29 3.640 -22.220 0.202 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.739 -22.722 3.182 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.198 -22.574 2.361 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.323 -24.980 2.298 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.022 -26.964 0.532 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.432 -27.215 1.310 1.00 0.00 H new ATOM 394 N PRO A 30 2.298 -20.128 0.581 1.00 0.00 N ATOM 395 CA PRO A 30 1.631 -18.827 0.657 1.00 0.00 C ATOM 396 C PRO A 30 0.779 -18.703 1.918 1.00 0.00 C ATOM 397 O PRO A 30 -0.079 -19.545 2.190 1.00 0.00 O ATOM 398 CB PRO A 30 0.758 -18.797 -0.598 1.00 0.00 C ATOM 399 CG PRO A 30 0.525 -20.226 -0.946 1.00 0.00 C ATOM 400 CD PRO A 30 1.753 -20.968 -0.503 1.00 0.00 C ATOM 0 HA PRO A 30 2.338 -17.999 0.706 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.183 -18.279 -0.411 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.256 -18.270 -1.412 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.364 -20.609 -0.445 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.363 -20.345 -2.017 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.510 -21.970 -0.149 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.467 -21.083 -1.318 1.00 0.00 H new ATOM 405 N HIS A 31 1.022 -17.651 2.683 1.00 0.00 N ATOM 406 CA HIS A 31 0.303 -17.419 3.921 1.00 0.00 C ATOM 407 C HIS A 31 -0.591 -16.192 3.784 1.00 0.00 C ATOM 408 O HIS A 31 -0.184 -15.176 3.219 1.00 0.00 O ATOM 409 CB HIS A 31 1.296 -17.225 5.072 1.00 0.00 C ATOM 410 CG HIS A 31 0.700 -17.431 6.430 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.735 -18.641 7.082 1.00 0.00 N ATOM 412 CD2 HIS A 31 0.057 -16.578 7.262 1.00 0.00 C ATOM 413 CE1 HIS A 31 0.140 -18.528 8.252 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.283 -17.287 8.389 1.00 0.00 N ATOM 0 H HIS A 31 1.719 -16.939 2.464 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.323 -18.285 4.137 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.127 -17.918 4.942 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.709 -16.218 5.016 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.150 -15.535 7.075 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.019 -19.319 8.977 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.780 -16.915 9.198 1.00 0.00 H new ATOM 422 N ALA A 32 -1.811 -16.306 4.286 1.00 0.00 N ATOM 423 CA ALA A 32 -2.773 -15.218 4.229 1.00 0.00 C ATOM 424 C ALA A 32 -2.353 -14.055 5.121 1.00 0.00 C ATOM 425 O ALA A 32 -2.137 -14.224 6.323 1.00 0.00 O ATOM 426 CB ALA A 32 -4.145 -15.728 4.633 1.00 0.00 C ATOM 0 H ALA A 32 -2.160 -17.149 4.741 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.812 -14.848 3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.864 -14.910 4.589 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.454 -16.520 3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.103 -16.120 5.649 1.00 0.00 H new ATOM 432 N THR A 33 -2.239 -12.880 4.521 1.00 0.00 N ATOM 433 CA THR A 33 -1.850 -11.677 5.235 1.00 0.00 C ATOM 434 C THR A 33 -2.675 -10.496 4.735 1.00 0.00 C ATOM 435 O THR A 33 -3.228 -10.535 3.632 1.00 0.00 O ATOM 436 CB THR A 33 -0.342 -11.385 5.053 1.00 0.00 C ATOM 437 OG1 THR A 33 0.047 -10.230 5.811 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.005 -11.166 3.586 1.00 0.00 C ATOM 0 H THR A 33 -2.414 -12.735 3.527 1.00 0.00 H new ATOM 0 HA THR A 33 -2.038 -11.830 6.298 1.00 0.00 H new ATOM 0 HB THR A 33 0.209 -12.253 5.417 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.474 -10.515 6.646 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.061 -10.962 3.484 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.260 -12.060 3.017 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.574 -10.318 3.204 1.00 0.00 H new ATOM 446 N SER A 34 -2.774 -9.456 5.545 1.00 0.00 N ATOM 447 CA SER A 34 -3.541 -8.288 5.168 1.00 0.00 C ATOM 448 C SER A 34 -2.841 -7.012 5.593 1.00 0.00 C ATOM 449 O SER A 34 -2.246 -6.950 6.664 1.00 0.00 O ATOM 450 CB SER A 34 -4.922 -8.351 5.799 1.00 0.00 C ATOM 451 OG SER A 34 -4.836 -8.465 7.210 1.00 0.00 O ATOM 0 H SER A 34 -2.334 -9.399 6.463 1.00 0.00 H new ATOM 0 HA SER A 34 -3.635 -8.280 4.082 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.485 -7.455 5.537 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.471 -9.202 5.395 1.00 0.00 H new ATOM 0 HG SER A 34 -5.738 -8.502 7.591 1.00 0.00 H new ATOM 456 N ILE A 35 -2.925 -6.003 4.745 1.00 0.00 N ATOM 457 CA ILE A 35 -2.313 -4.721 5.019 1.00 0.00 C ATOM 458 C ILE A 35 -3.366 -3.621 4.925 1.00 0.00 C ATOM 459 O ILE A 35 -4.280 -3.700 4.104 1.00 0.00 O ATOM 460 CB ILE A 35 -1.164 -4.393 4.031 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.242 -5.597 3.826 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.353 -3.204 4.523 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.587 -6.433 2.611 1.00 0.00 C ATOM 0 H ILE A 35 -3.417 -6.051 3.853 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.892 -4.773 6.023 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.621 -4.142 3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.785 -5.244 3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.283 -6.229 4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.448 -2.992 3.815 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.001 -2.332 4.610 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.077 -3.435 5.498 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.111 -7.267 2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.602 -6.817 2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.518 -5.817 1.714 1.00 0.00 H new ATOM 474 N ASN A 36 -3.243 -2.600 5.754 1.00 0.00 N ATOM 475 CA ASN A 36 -4.194 -1.497 5.739 1.00 0.00 C ATOM 476 C ASN A 36 -3.569 -0.287 5.047 1.00 0.00 C ATOM 477 O ASN A 36 -2.866 0.499 5.678 1.00 0.00 O ATOM 478 CB ASN A 36 -4.611 -1.127 7.164 1.00 0.00 C ATOM 479 CG ASN A 36 -6.048 -0.639 7.259 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.665 -0.707 8.321 1.00 0.00 O ATOM 481 ND2 ASN A 36 -6.611 -0.178 6.151 1.00 0.00 N ATOM 0 H ASN A 36 -2.498 -2.509 6.445 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.082 -1.808 5.189 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.486 -1.996 7.810 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.945 -0.351 7.541 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.582 0.133 6.164 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.073 -0.134 5.286 1.00 0.00 H new ATOM 487 N LEU A 37 -3.849 -0.130 3.752 1.00 0.00 N ATOM 488 CA LEU A 37 -3.291 0.975 2.961 1.00 0.00 C ATOM 489 C LEU A 37 -3.673 2.326 3.550 1.00 0.00 C ATOM 490 O LEU A 37 -2.961 3.310 3.376 1.00 0.00 O ATOM 491 CB LEU A 37 -3.770 0.932 1.500 1.00 0.00 C ATOM 492 CG LEU A 37 -3.491 -0.351 0.711 1.00 0.00 C ATOM 493 CD1 LEU A 37 -2.124 -0.925 1.045 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.585 -1.374 0.953 1.00 0.00 C ATOM 0 H LEU A 37 -4.460 -0.754 3.225 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.208 0.852 2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.846 1.107 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.308 1.763 0.968 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.487 -0.097 -0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.960 -1.834 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.353 -0.195 0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.077 -1.158 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.370 -2.279 0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.629 -1.615 2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.543 -0.964 0.634 1.00 0.00 H new ATOM 505 N ASN A 38 -4.803 2.361 4.247 1.00 0.00 N ATOM 506 CA ASN A 38 -5.301 3.591 4.860 1.00 0.00 C ATOM 507 C ASN A 38 -4.263 4.226 5.788 1.00 0.00 C ATOM 508 O ASN A 38 -4.292 5.432 6.021 1.00 0.00 O ATOM 509 CB ASN A 38 -6.594 3.307 5.640 1.00 0.00 C ATOM 510 CG ASN A 38 -7.197 4.551 6.276 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.864 4.914 7.401 1.00 0.00 O ATOM 512 ND2 ASN A 38 -8.111 5.201 5.568 1.00 0.00 N ATOM 0 H ASN A 38 -5.397 1.546 4.403 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.506 4.298 4.056 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.326 2.860 4.967 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.387 2.573 6.419 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.561 6.030 5.955 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.364 4.872 4.636 1.00 0.00 H new ATOM 518 N TYR A 39 -3.339 3.424 6.300 1.00 0.00 N ATOM 519 CA TYR A 39 -2.321 3.935 7.207 1.00 0.00 C ATOM 520 C TYR A 39 -0.930 3.877 6.580 1.00 0.00 C ATOM 521 O TYR A 39 0.072 4.044 7.273 1.00 0.00 O ATOM 522 CB TYR A 39 -2.345 3.149 8.520 1.00 0.00 C ATOM 523 CG TYR A 39 -3.675 3.215 9.240 1.00 0.00 C ATOM 524 CD1 TYR A 39 -4.168 4.422 9.718 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.438 2.070 9.442 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.382 4.488 10.373 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.655 2.128 10.099 1.00 0.00 C ATOM 528 CZ TYR A 39 -6.122 3.339 10.561 1.00 0.00 C ATOM 529 OH TYR A 39 -7.333 3.405 11.215 1.00 0.00 O ATOM 0 H TYR A 39 -3.273 2.425 6.105 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.548 4.981 7.411 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.104 2.106 8.314 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.565 3.533 9.178 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.592 5.324 9.575 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.075 1.119 9.080 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.751 5.436 10.737 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.235 1.229 10.249 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.728 2.509 11.264 1.00 0.00 H new ATOM 538 N TYR A 40 -0.869 3.633 5.274 1.00 0.00 N ATOM 539 CA TYR A 40 0.415 3.566 4.574 1.00 0.00 C ATOM 540 C TYR A 40 0.441 4.444 3.340 1.00 0.00 C ATOM 541 O TYR A 40 1.493 4.671 2.765 1.00 0.00 O ATOM 542 CB TYR A 40 0.778 2.122 4.220 1.00 0.00 C ATOM 543 CG TYR A 40 1.003 1.251 5.435 1.00 0.00 C ATOM 544 CD1 TYR A 40 2.022 1.534 6.337 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.194 0.153 5.684 1.00 0.00 C ATOM 546 CE1 TYR A 40 2.225 0.747 7.451 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.390 -0.638 6.798 1.00 0.00 C ATOM 548 CZ TYR A 40 1.407 -0.339 7.676 1.00 0.00 C ATOM 549 OH TYR A 40 1.606 -1.127 8.787 1.00 0.00 O ATOM 0 H TYR A 40 -1.685 3.479 4.681 1.00 0.00 H new ATOM 0 HA TYR A 40 1.169 3.951 5.261 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.020 1.691 3.615 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.680 2.120 3.607 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.665 2.384 6.163 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.602 -0.087 4.995 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.020 0.980 8.143 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.252 -1.488 6.980 1.00 0.00 H new ATOM 0 HH TYR A 40 0.944 -1.850 8.798 1.00 0.00 H new ATOM 558 N ILE A 41 -0.708 4.932 2.929 1.00 0.00 N ATOM 559 CA ILE A 41 -0.771 5.822 1.794 1.00 0.00 C ATOM 560 C ILE A 41 -1.464 7.102 2.212 1.00 0.00 C ATOM 561 O ILE A 41 -2.495 7.071 2.889 1.00 0.00 O ATOM 562 CB ILE A 41 -1.495 5.218 0.577 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.643 4.157 -0.123 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.852 6.317 -0.404 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.659 2.809 0.550 1.00 0.00 C ATOM 0 H ILE A 41 -1.608 4.728 3.363 1.00 0.00 H new ATOM 0 HA ILE A 41 0.255 6.012 1.479 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.402 4.732 0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.995 4.043 -1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.386 4.511 -0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.364 5.885 -1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.506 7.040 0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.942 6.817 -0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.031 2.116 -0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.278 2.905 1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.680 2.430 0.580 1.00 0.00 H new ATOM 576 N GLY A 42 -0.882 8.222 1.831 1.00 0.00 N ATOM 577 CA GLY A 42 -1.444 9.493 2.184 1.00 0.00 C ATOM 578 C GLY A 42 -2.049 10.202 1.008 1.00 0.00 C ATOM 579 O GLY A 42 -1.879 9.789 -0.141 1.00 0.00 O ATOM 0 H GLY A 42 -0.025 8.269 1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.207 9.349 2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.668 10.120 2.622 1.00 0.00 H new ATOM 583 N ASN A 43 -2.739 11.278 1.304 1.00 0.00 N ATOM 584 CA ASN A 43 -3.402 12.070 0.281 1.00 0.00 C ATOM 585 C ASN A 43 -2.716 13.416 0.130 1.00 0.00 C ATOM 586 O ASN A 43 -2.883 14.312 0.962 1.00 0.00 O ATOM 587 CB ASN A 43 -4.881 12.251 0.645 1.00 0.00 C ATOM 588 CG ASN A 43 -5.610 13.242 -0.249 1.00 0.00 C ATOM 589 OD1 ASN A 43 -5.243 13.460 -1.405 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.660 13.842 0.286 1.00 0.00 N ATOM 0 H ASN A 43 -2.860 11.632 2.253 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.338 11.548 -0.674 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.382 11.285 0.587 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.954 12.586 1.680 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.198 14.513 -0.262 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.932 13.634 1.247 1.00 0.00 H new ATOM 596 N ASP A 44 -1.918 13.545 -0.915 1.00 0.00 N ATOM 597 CA ASP A 44 -1.215 14.788 -1.183 1.00 0.00 C ATOM 598 C ASP A 44 -1.793 15.453 -2.428 1.00 0.00 C ATOM 599 O ASP A 44 -1.557 14.998 -3.542 1.00 0.00 O ATOM 600 CB ASP A 44 0.285 14.526 -1.360 1.00 0.00 C ATOM 601 CG ASP A 44 1.081 15.804 -1.549 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.474 16.415 -0.530 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.311 16.206 -2.709 1.00 0.00 O ATOM 0 H ASP A 44 -1.740 12.804 -1.593 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.346 15.459 -0.334 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.663 13.993 -0.488 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.438 13.876 -2.222 1.00 0.00 H new ATOM 607 N ASN A 45 -2.563 16.522 -2.219 1.00 0.00 N ATOM 608 CA ASN A 45 -3.195 17.276 -3.312 1.00 0.00 C ATOM 609 C ASN A 45 -3.990 16.347 -4.235 1.00 0.00 C ATOM 610 O ASN A 45 -3.869 16.393 -5.461 1.00 0.00 O ATOM 611 CB ASN A 45 -2.127 18.052 -4.094 1.00 0.00 C ATOM 612 CG ASN A 45 -2.688 19.104 -5.036 1.00 0.00 C ATOM 613 OD1 ASN A 45 -2.956 18.837 -6.205 1.00 0.00 O ATOM 614 ND2 ASN A 45 -2.855 20.317 -4.534 1.00 0.00 N ATOM 0 H ASN A 45 -2.768 16.892 -1.291 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.900 17.988 -2.884 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.454 18.536 -3.386 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.529 17.346 -4.670 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.217 21.067 -5.123 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.622 20.502 -3.558 1.00 0.00 H new ATOM 620 N GLY A 46 -4.795 15.482 -3.630 1.00 0.00 N ATOM 621 CA GLY A 46 -5.609 14.563 -4.400 1.00 0.00 C ATOM 622 C GLY A 46 -4.792 13.489 -5.095 1.00 0.00 C ATOM 623 O GLY A 46 -5.253 12.872 -6.056 1.00 0.00 O ATOM 0 H GLY A 46 -4.898 15.401 -2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.336 14.089 -3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.173 15.123 -5.146 1.00 0.00 H new ATOM 627 N ARG A 47 -3.578 13.272 -4.616 1.00 0.00 N ATOM 628 CA ARG A 47 -2.693 12.273 -5.193 1.00 0.00 C ATOM 629 C ARG A 47 -2.317 11.227 -4.157 1.00 0.00 C ATOM 630 O ARG A 47 -2.285 11.510 -2.956 1.00 0.00 O ATOM 631 CB ARG A 47 -1.439 12.940 -5.757 1.00 0.00 C ATOM 632 CG ARG A 47 -1.341 12.860 -7.269 1.00 0.00 C ATOM 633 CD ARG A 47 -2.580 13.423 -7.955 1.00 0.00 C ATOM 634 NE ARG A 47 -2.742 14.859 -7.722 1.00 0.00 N ATOM 635 CZ ARG A 47 -2.602 15.784 -8.676 1.00 0.00 C ATOM 636 NH1 ARG A 47 -2.208 15.429 -9.896 1.00 0.00 N ATOM 637 NH2 ARG A 47 -2.821 17.064 -8.402 1.00 0.00 N ATOM 0 H ARG A 47 -3.181 13.778 -3.824 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.220 11.774 -6.007 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.426 13.987 -5.455 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.558 12.471 -5.318 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.461 13.409 -7.604 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.202 11.821 -7.568 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.515 13.237 -9.027 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.463 12.897 -7.593 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.975 15.171 -6.779 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.012 14.450 -10.104 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.102 16.136 -10.623 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.097 17.344 -7.461 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.713 17.768 -9.133 1.00 0.00 H new ATOM 648 N LEU A 48 -2.036 10.023 -4.632 1.00 0.00 N ATOM 649 CA LEU A 48 -1.677 8.917 -3.761 1.00 0.00 C ATOM 650 C LEU A 48 -0.186 8.931 -3.452 1.00 0.00 C ATOM 651 O LEU A 48 0.645 8.816 -4.349 1.00 0.00 O ATOM 652 CB LEU A 48 -2.091 7.578 -4.398 1.00 0.00 C ATOM 653 CG LEU A 48 -3.555 7.174 -4.179 1.00 0.00 C ATOM 654 CD1 LEU A 48 -4.505 8.231 -4.713 1.00 0.00 C ATOM 655 CD2 LEU A 48 -3.838 5.831 -4.834 1.00 0.00 C ATOM 0 H LEU A 48 -2.050 9.787 -5.624 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.215 9.032 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.902 7.631 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.450 6.791 -4.000 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.720 7.085 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.534 7.915 -4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.325 9.175 -4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.338 8.363 -5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.881 5.559 -4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.646 5.901 -5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.191 5.070 -4.398 1.00 0.00 H new ATOM 666 N GLU A 49 0.133 9.104 -2.177 1.00 0.00 N ATOM 667 CA GLU A 49 1.518 9.131 -1.719 1.00 0.00 C ATOM 668 C GLU A 49 1.800 7.870 -0.891 1.00 0.00 C ATOM 669 O GLU A 49 1.096 7.575 0.072 1.00 0.00 O ATOM 670 CB GLU A 49 1.777 10.425 -0.940 1.00 0.00 C ATOM 671 CG GLU A 49 3.228 10.646 -0.541 1.00 0.00 C ATOM 672 CD GLU A 49 4.166 10.706 -1.730 1.00 0.00 C ATOM 673 OE1 GLU A 49 4.156 11.722 -2.448 1.00 0.00 O ATOM 674 OE2 GLU A 49 4.912 9.728 -1.956 1.00 0.00 O ATOM 0 H GLU A 49 -0.555 9.229 -1.434 1.00 0.00 H new ATOM 0 HA GLU A 49 2.205 9.126 -2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.448 11.270 -1.545 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.163 10.420 -0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.306 11.575 0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.543 9.841 0.123 1.00 0.00 H new ATOM 679 N TYR A 50 2.852 7.157 -1.273 1.00 0.00 N ATOM 680 CA TYR A 50 3.225 5.867 -0.686 1.00 0.00 C ATOM 681 C TYR A 50 3.559 5.761 0.723 1.00 0.00 C ATOM 682 O TYR A 50 3.683 4.625 1.179 1.00 0.00 O ATOM 683 CB TYR A 50 4.242 5.139 -1.543 1.00 0.00 C ATOM 684 CG TYR A 50 5.565 5.837 -1.773 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.740 6.698 -2.846 1.00 0.00 C ATOM 686 CD2 TYR A 50 6.652 5.589 -0.946 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.956 7.300 -3.083 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.874 6.183 -1.183 1.00 0.00 C ATOM 689 CZ TYR A 50 8.020 7.038 -2.254 1.00 0.00 C ATOM 690 OH TYR A 50 9.237 7.626 -2.502 1.00 0.00 O ATOM 0 H TYR A 50 3.485 7.461 -2.013 1.00 0.00 H new ATOM 0 HA TYR A 50 2.252 5.375 -0.693 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.444 4.172 -1.083 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.789 4.942 -2.514 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.910 6.900 -3.506 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.539 4.921 -0.105 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.073 7.976 -3.917 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.712 5.979 -0.533 1.00 0.00 H new ATOM 0 HH TYR A 50 9.883 7.339 -1.824 1.00 0.00 H new ATOM 699 N PRO A 51 3.773 6.769 1.493 1.00 0.00 N ATOM 700 CA PRO A 51 3.979 6.393 2.815 1.00 0.00 C ATOM 701 C PRO A 51 3.126 7.120 3.824 1.00 0.00 C ATOM 702 O PRO A 51 3.321 7.063 5.036 1.00 0.00 O ATOM 703 CB PRO A 51 5.359 6.818 2.913 1.00 0.00 C ATOM 704 CG PRO A 51 5.432 8.129 2.183 1.00 0.00 C ATOM 705 CD PRO A 51 4.278 8.110 1.234 1.00 0.00 C ATOM 0 HA PRO A 51 3.740 5.351 3.029 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.661 6.932 3.954 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.028 6.083 2.466 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.361 8.969 2.874 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.378 8.232 1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.543 8.884 1.454 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.586 8.248 0.198 1.00 0.00 H new ATOM 710 N GLY A 52 2.236 7.817 3.245 1.00 0.00 N ATOM 711 CA GLY A 52 1.303 8.670 3.914 1.00 0.00 C ATOM 712 C GLY A 52 0.276 7.967 4.787 1.00 0.00 C ATOM 713 O GLY A 52 0.388 6.780 5.071 1.00 0.00 O ATOM 0 H GLY A 52 2.119 7.819 2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.860 9.372 4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.774 9.258 3.164 1.00 0.00 H new ATOM 717 N GLU A 53 -0.741 8.721 5.204 1.00 0.00 N ATOM 718 CA GLU A 53 -1.811 8.190 6.039 1.00 0.00 C ATOM 719 C GLU A 53 -3.150 8.853 5.700 1.00 0.00 C ATOM 720 O GLU A 53 -3.186 9.974 5.187 1.00 0.00 O ATOM 721 CB GLU A 53 -1.498 8.413 7.525 1.00 0.00 C ATOM 722 CG GLU A 53 -0.272 7.665 8.018 1.00 0.00 C ATOM 723 CD GLU A 53 0.021 7.927 9.480 1.00 0.00 C ATOM 724 OE1 GLU A 53 0.633 8.970 9.794 1.00 0.00 O ATOM 725 OE2 GLU A 53 -0.364 7.093 10.327 1.00 0.00 O ATOM 0 H GLU A 53 -0.844 9.709 4.973 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.884 7.121 5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.355 9.479 7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.360 8.106 8.117 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.418 6.596 7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.592 7.956 7.420 1.00 0.00 H new ATOM 730 N SER A 54 -4.231 8.125 5.982 1.00 0.00 N ATOM 731 CA SER A 54 -5.604 8.580 5.775 1.00 0.00 C ATOM 732 C SER A 54 -5.911 9.024 4.338 1.00 0.00 C ATOM 733 O SER A 54 -6.547 10.056 4.128 1.00 0.00 O ATOM 734 CB SER A 54 -5.920 9.709 6.749 1.00 0.00 C ATOM 735 OG SER A 54 -5.694 9.313 8.094 1.00 0.00 O ATOM 0 H SER A 54 -4.174 7.183 6.369 1.00 0.00 H new ATOM 0 HA SER A 54 -6.243 7.717 5.962 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.303 10.576 6.515 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.959 10.015 6.628 1.00 0.00 H new ATOM 0 HG SER A 54 -5.904 10.059 8.694 1.00 0.00 H new ATOM 740 N PHE A 55 -5.486 8.248 3.347 1.00 0.00 N ATOM 741 CA PHE A 55 -5.780 8.607 1.960 1.00 0.00 C ATOM 742 C PHE A 55 -7.213 8.206 1.613 1.00 0.00 C ATOM 743 O PHE A 55 -7.923 8.925 0.913 1.00 0.00 O ATOM 744 CB PHE A 55 -4.803 7.935 0.984 1.00 0.00 C ATOM 745 CG PHE A 55 -5.152 6.511 0.645 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.879 5.487 1.532 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.771 6.206 -0.558 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.211 4.181 1.226 1.00 0.00 C ATOM 749 CE2 PHE A 55 -6.107 4.903 -0.868 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.828 3.889 0.026 1.00 0.00 C ATOM 0 H PHE A 55 -4.951 7.388 3.469 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.665 9.686 1.862 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.768 8.518 0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.802 7.959 1.415 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.401 5.710 2.474 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.993 6.996 -1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.988 3.389 1.925 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.587 4.678 -1.809 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.092 2.869 -0.213 1.00 0.00 H new ATOM 759 N GLY A 56 -7.643 7.066 2.159 1.00 0.00 N ATOM 760 CA GLY A 56 -8.974 6.545 1.894 1.00 0.00 C ATOM 761 C GLY A 56 -10.046 7.420 2.487 1.00 0.00 C ATOM 762 O GLY A 56 -11.209 7.352 2.100 1.00 0.00 O ATOM 0 H GLY A 56 -7.083 6.490 2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.125 6.464 0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.058 5.539 2.304 1.00 0.00 H new ATOM 766 N SER A 57 -9.634 8.248 3.429 1.00 0.00 N ATOM 767 CA SER A 57 -10.525 9.168 4.103 1.00 0.00 C ATOM 768 C SER A 57 -11.040 10.234 3.133 1.00 0.00 C ATOM 769 O SER A 57 -11.973 10.974 3.442 1.00 0.00 O ATOM 770 CB SER A 57 -9.768 9.815 5.256 1.00 0.00 C ATOM 771 OG SER A 57 -9.185 8.823 6.091 1.00 0.00 O ATOM 0 H SER A 57 -8.667 8.300 3.748 1.00 0.00 H new ATOM 0 HA SER A 57 -11.390 8.627 4.485 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.991 10.472 4.865 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.446 10.437 5.840 1.00 0.00 H new ATOM 0 HG SER A 57 -8.985 9.211 6.969 1.00 0.00 H new ATOM 776 N SER A 58 -10.410 10.321 1.965 1.00 0.00 N ATOM 777 CA SER A 58 -10.808 11.281 0.947 1.00 0.00 C ATOM 778 C SER A 58 -10.525 10.731 -0.452 1.00 0.00 C ATOM 779 O SER A 58 -10.320 11.491 -1.397 1.00 0.00 O ATOM 780 CB SER A 58 -10.076 12.610 1.159 1.00 0.00 C ATOM 781 OG SER A 58 -10.329 13.130 2.457 1.00 0.00 O ATOM 0 H SER A 58 -9.618 9.734 1.702 1.00 0.00 H new ATOM 0 HA SER A 58 -11.880 11.455 1.035 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.004 12.464 1.024 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.397 13.330 0.406 1.00 0.00 H new ATOM 0 HG SER A 58 -9.850 13.977 2.569 1.00 0.00 H new ATOM 786 N CYS A 59 -10.522 9.407 -0.579 1.00 0.00 N ATOM 787 CA CYS A 59 -10.262 8.763 -1.866 1.00 0.00 C ATOM 788 C CYS A 59 -11.386 7.826 -2.243 1.00 0.00 C ATOM 789 O CYS A 59 -12.104 7.313 -1.383 1.00 0.00 O ATOM 790 CB CYS A 59 -8.963 7.963 -1.845 1.00 0.00 C ATOM 791 SG CYS A 59 -7.748 8.461 -3.104 1.00 0.00 S ATOM 0 H CYS A 59 -10.696 8.760 0.190 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.182 9.565 -2.600 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.507 8.061 -0.860 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.199 6.908 -1.984 1.00 0.00 H new ATOM 795 N VAL A 60 -11.517 7.599 -3.536 1.00 0.00 N ATOM 796 CA VAL A 60 -12.535 6.716 -4.071 1.00 0.00 C ATOM 797 C VAL A 60 -11.967 5.921 -5.238 1.00 0.00 C ATOM 798 O VAL A 60 -10.855 6.202 -5.692 1.00 0.00 O ATOM 799 CB VAL A 60 -13.781 7.497 -4.533 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.427 8.200 -3.350 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.419 8.506 -5.615 1.00 0.00 C ATOM 0 H VAL A 60 -10.919 8.022 -4.246 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.840 6.038 -3.274 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.493 6.788 -4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.306 8.748 -3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.724 7.461 -2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.714 8.895 -2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.315 9.045 -5.925 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.688 9.213 -5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -12.995 7.984 -6.473 1.00 0.00 H new ATOM 811 N LYS A 61 -12.729 4.937 -5.714 1.00 0.00 N ATOM 812 CA LYS A 61 -12.307 4.083 -6.828 1.00 0.00 C ATOM 813 C LYS A 61 -11.052 3.287 -6.474 1.00 0.00 C ATOM 814 O LYS A 61 -10.241 2.987 -7.350 1.00 0.00 O ATOM 815 CB LYS A 61 -12.041 4.896 -8.106 1.00 0.00 C ATOM 816 CG LYS A 61 -13.280 5.241 -8.923 1.00 0.00 C ATOM 817 CD LYS A 61 -14.099 6.360 -8.301 1.00 0.00 C ATOM 818 CE LYS A 61 -15.136 6.883 -9.282 1.00 0.00 C ATOM 819 NZ LYS A 61 -15.880 8.057 -8.753 1.00 0.00 N ATOM 0 H LYS A 61 -13.651 4.709 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.131 3.395 -7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.537 5.822 -7.830 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.353 4.335 -8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.977 5.533 -9.929 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.903 4.352 -9.023 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.595 5.996 -7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.439 7.172 -7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.643 7.159 -10.214 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.841 6.087 -9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -16.574 8.375 -9.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.374 7.789 -7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.213 8.829 -8.552 1.00 0.00 H new ATOM 829 N THR A 62 -10.904 2.937 -5.201 1.00 0.00 N ATOM 830 CA THR A 62 -9.744 2.181 -4.744 1.00 0.00 C ATOM 831 C THR A 62 -9.637 0.831 -5.459 1.00 0.00 C ATOM 832 O THR A 62 -10.572 0.024 -5.435 1.00 0.00 O ATOM 833 CB THR A 62 -9.801 1.958 -3.221 1.00 0.00 C ATOM 834 OG1 THR A 62 -11.152 1.685 -2.822 1.00 0.00 O ATOM 835 CG2 THR A 62 -9.274 3.168 -2.458 1.00 0.00 C ATOM 0 H THR A 62 -11.574 3.165 -4.466 1.00 0.00 H new ATOM 0 HA THR A 62 -8.859 2.770 -4.986 1.00 0.00 H new ATOM 0 HB THR A 62 -9.165 1.106 -2.982 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.223 1.742 -1.846 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.329 2.975 -1.387 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.238 3.353 -2.740 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.878 4.042 -2.701 1.00 0.00 H new ATOM 843 N ALA A 63 -8.503 0.598 -6.106 1.00 0.00 N ATOM 844 CA ALA A 63 -8.265 -0.640 -6.833 1.00 0.00 C ATOM 845 C ALA A 63 -6.777 -0.958 -6.862 1.00 0.00 C ATOM 846 O ALA A 63 -5.947 -0.091 -6.596 1.00 0.00 O ATOM 847 CB ALA A 63 -8.809 -0.542 -8.251 1.00 0.00 C ATOM 0 H ALA A 63 -7.726 1.258 -6.141 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.787 -1.446 -6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.621 -1.477 -8.778 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.882 -0.354 -8.217 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.314 0.275 -8.775 1.00 0.00 H new ATOM 853 N LEU A 64 -6.449 -2.202 -7.172 1.00 0.00 N ATOM 854 CA LEU A 64 -5.062 -2.631 -7.233 1.00 0.00 C ATOM 855 C LEU A 64 -4.749 -3.180 -8.621 1.00 0.00 C ATOM 856 O LEU A 64 -5.268 -4.223 -9.020 1.00 0.00 O ATOM 857 CB LEU A 64 -4.799 -3.695 -6.158 1.00 0.00 C ATOM 858 CG LEU A 64 -3.699 -3.356 -5.142 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.333 -3.394 -5.797 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.943 -1.987 -4.531 1.00 0.00 C ATOM 0 H LEU A 64 -7.127 -2.934 -7.386 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.411 -1.777 -7.044 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.727 -3.874 -5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.535 -4.629 -6.654 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.727 -4.105 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.569 -3.151 -5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.148 -4.392 -6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.298 -2.667 -6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.154 -1.763 -3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.943 -1.232 -5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.907 -1.982 -4.023 1.00 0.00 H new ATOM 871 N ASN A 65 -3.902 -2.473 -9.358 1.00 0.00 N ATOM 872 CA ASN A 65 -3.530 -2.894 -10.699 1.00 0.00 C ATOM 873 C ASN A 65 -2.381 -3.882 -10.658 1.00 0.00 C ATOM 874 O ASN A 65 -1.338 -3.616 -10.052 1.00 0.00 O ATOM 875 CB ASN A 65 -3.154 -1.696 -11.576 1.00 0.00 C ATOM 876 CG ASN A 65 -4.369 -0.960 -12.110 1.00 0.00 C ATOM 877 OD1 ASN A 65 -4.860 -0.018 -11.491 1.00 0.00 O ATOM 878 ND2 ASN A 65 -4.860 -1.389 -13.263 1.00 0.00 N ATOM 0 H ASN A 65 -3.461 -1.607 -9.049 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.400 -3.383 -11.137 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.540 -1.005 -10.998 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.545 -2.039 -12.412 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.677 -0.934 -13.670 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.421 -2.175 -13.743 1.00 0.00 H new ATOM 884 N ASP A 66 -2.615 -5.036 -11.274 1.00 0.00 N ATOM 885 CA ASP A 66 -1.634 -6.120 -11.371 1.00 0.00 C ATOM 886 C ASP A 66 -1.137 -6.570 -9.995 1.00 0.00 C ATOM 887 O ASP A 66 -0.071 -7.170 -9.866 1.00 0.00 O ATOM 888 CB ASP A 66 -0.466 -5.700 -12.267 1.00 0.00 C ATOM 889 CG ASP A 66 0.302 -6.887 -12.816 1.00 0.00 C ATOM 890 OD1 ASP A 66 -0.277 -7.654 -13.612 1.00 0.00 O ATOM 891 OD2 ASP A 66 1.492 -7.047 -12.475 1.00 0.00 O ATOM 0 H ASP A 66 -3.503 -5.251 -11.728 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.132 -6.978 -11.823 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.845 -5.102 -13.096 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.213 -5.064 -11.699 1.00 0.00 H new ATOM 895 N GLY A 67 -1.928 -6.277 -8.971 1.00 0.00 N ATOM 896 CA GLY A 67 -1.589 -6.663 -7.615 1.00 0.00 C ATOM 897 C GLY A 67 -0.303 -6.047 -7.092 1.00 0.00 C ATOM 898 O GLY A 67 0.430 -6.693 -6.349 1.00 0.00 O ATOM 0 H GLY A 67 -2.810 -5.772 -9.058 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.408 -6.381 -6.954 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.503 -7.749 -7.570 1.00 0.00 H new ATOM 902 N HIS A 68 -0.020 -4.802 -7.466 1.00 0.00 N ATOM 903 CA HIS A 68 1.191 -4.136 -6.984 1.00 0.00 C ATOM 904 C HIS A 68 1.055 -2.612 -6.978 1.00 0.00 C ATOM 905 O HIS A 68 1.759 -1.929 -6.245 1.00 0.00 O ATOM 906 CB HIS A 68 2.441 -4.572 -7.774 1.00 0.00 C ATOM 907 CG HIS A 68 2.396 -4.354 -9.264 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.248 -4.997 -10.133 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.625 -3.552 -10.032 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.002 -4.599 -11.366 1.00 0.00 C ATOM 911 NE2 HIS A 68 2.019 -3.722 -11.330 1.00 0.00 N ATOM 0 H HIS A 68 -0.600 -4.241 -8.090 1.00 0.00 H new ATOM 0 HA HIS A 68 1.321 -4.455 -5.950 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.302 -4.036 -7.375 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.611 -5.632 -7.588 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.841 -2.896 -9.684 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.518 -4.934 -12.254 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.618 -3.247 -12.139 1.00 0.00 H new ATOM 919 N THR A 69 0.157 -2.080 -7.788 1.00 0.00 N ATOM 920 CA THR A 69 -0.045 -0.645 -7.853 1.00 0.00 C ATOM 921 C THR A 69 -1.448 -0.266 -7.394 1.00 0.00 C ATOM 922 O THR A 69 -2.433 -0.821 -7.868 1.00 0.00 O ATOM 923 CB THR A 69 0.194 -0.142 -9.286 1.00 0.00 C ATOM 924 OG1 THR A 69 1.595 -0.170 -9.591 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.361 1.259 -9.489 1.00 0.00 C ATOM 0 H THR A 69 -0.444 -2.621 -8.410 1.00 0.00 H new ATOM 0 HA THR A 69 0.672 -0.172 -7.182 1.00 0.00 H new ATOM 0 HB THR A 69 -0.336 -0.809 -9.966 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.737 0.151 -10.506 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.173 1.580 -10.514 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.435 1.256 -9.301 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.126 1.947 -8.798 1.00 0.00 H new ATOM 933 N LEU A 70 -1.529 0.674 -6.467 1.00 0.00 N ATOM 934 CA LEU A 70 -2.815 1.132 -5.957 1.00 0.00 C ATOM 935 C LEU A 70 -3.312 2.315 -6.768 1.00 0.00 C ATOM 936 O LEU A 70 -2.578 3.273 -6.997 1.00 0.00 O ATOM 937 CB LEU A 70 -2.708 1.516 -4.473 1.00 0.00 C ATOM 938 CG LEU A 70 -3.818 2.430 -3.930 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.190 1.797 -4.087 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.568 2.762 -2.469 1.00 0.00 C ATOM 0 H LEU A 70 -0.721 1.136 -6.051 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.530 0.314 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.697 0.601 -3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.749 2.009 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.799 3.349 -4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.949 2.472 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.385 1.609 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.221 0.855 -3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.364 3.410 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.550 1.842 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.610 3.273 -2.371 1.00 0.00 H new ATOM 951 N THR A 71 -4.549 2.233 -7.213 1.00 0.00 N ATOM 952 CA THR A 71 -5.157 3.298 -7.979 1.00 0.00 C ATOM 953 C THR A 71 -6.399 3.815 -7.283 1.00 0.00 C ATOM 954 O THR A 71 -7.257 3.037 -6.869 1.00 0.00 O ATOM 955 CB THR A 71 -5.536 2.829 -9.391 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.718 1.406 -9.403 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.471 3.238 -10.390 1.00 0.00 C ATOM 0 H THR A 71 -5.158 1.430 -7.054 1.00 0.00 H new ATOM 0 HA THR A 71 -4.420 4.097 -8.058 1.00 0.00 H new ATOM 0 HB THR A 71 -6.474 3.304 -9.679 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.578 1.066 -10.311 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.756 2.897 -11.385 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.372 4.323 -10.392 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.518 2.787 -10.111 1.00 0.00 H new ATOM 965 N ALA A 72 -6.474 5.123 -7.129 1.00 0.00 N ATOM 966 CA ALA A 72 -7.619 5.749 -6.496 1.00 0.00 C ATOM 967 C ALA A 72 -7.649 7.229 -6.819 1.00 0.00 C ATOM 968 O ALA A 72 -6.671 7.788 -7.319 1.00 0.00 O ATOM 969 CB ALA A 72 -7.587 5.532 -4.990 1.00 0.00 C ATOM 0 H ALA A 72 -5.752 5.775 -7.435 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.526 5.287 -6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.455 6.010 -4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.607 4.463 -4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.676 5.967 -4.579 1.00 0.00 H new ATOM 975 N SER A 73 -8.775 7.850 -6.560 1.00 0.00 N ATOM 976 CA SER A 73 -8.941 9.264 -6.804 1.00 0.00 C ATOM 977 C SER A 73 -9.199 9.966 -5.481 1.00 0.00 C ATOM 978 O SER A 73 -10.242 9.766 -4.854 1.00 0.00 O ATOM 979 CB SER A 73 -10.098 9.493 -7.777 1.00 0.00 C ATOM 980 OG SER A 73 -10.183 10.848 -8.167 1.00 0.00 O ATOM 0 H SER A 73 -9.601 7.391 -6.175 1.00 0.00 H new ATOM 0 HA SER A 73 -8.036 9.673 -7.253 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.963 8.867 -8.659 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.034 9.188 -7.310 1.00 0.00 H new ATOM 0 HG SER A 73 -11.123 11.093 -8.297 1.00 0.00 H new ATOM 985 N CYS A 74 -8.242 10.770 -5.054 1.00 0.00 N ATOM 986 CA CYS A 74 -8.353 11.487 -3.795 1.00 0.00 C ATOM 987 C CYS A 74 -8.695 12.942 -4.035 1.00 0.00 C ATOM 988 O CYS A 74 -8.296 13.539 -5.037 1.00 0.00 O ATOM 989 CB CYS A 74 -7.039 11.441 -3.004 1.00 0.00 C ATOM 990 SG CYS A 74 -6.630 9.865 -2.174 1.00 0.00 S ATOM 0 H CYS A 74 -7.375 10.944 -5.563 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.143 10.998 -3.225 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.224 11.688 -3.685 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.071 12.225 -2.247 1.00 0.00 H new ATOM 994 N LYS A 75 -9.463 13.493 -3.122 1.00 0.00 N ATOM 995 CA LYS A 75 -9.843 14.888 -3.175 1.00 0.00 C ATOM 996 C LYS A 75 -8.965 15.675 -2.211 1.00 0.00 C ATOM 997 O LYS A 75 -8.654 15.194 -1.122 1.00 0.00 O ATOM 998 CB LYS A 75 -11.333 15.056 -2.842 1.00 0.00 C ATOM 999 CG LYS A 75 -11.759 16.501 -2.620 1.00 0.00 C ATOM 1000 CD LYS A 75 -11.705 16.869 -1.147 1.00 0.00 C ATOM 1001 CE LYS A 75 -11.687 18.368 -0.939 1.00 0.00 C ATOM 1002 NZ LYS A 75 -11.760 18.729 0.500 1.00 0.00 N ATOM 0 H LYS A 75 -9.842 12.987 -2.322 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.694 15.273 -4.184 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.926 14.634 -3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.562 14.479 -1.946 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.108 17.166 -3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.771 16.647 -2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.567 16.442 -0.634 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.816 16.429 -0.696 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.777 18.784 -1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.526 18.818 -1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.745 19.764 0.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.641 18.355 0.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.945 18.321 1.002 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.550 16.867 -2.608 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.718 17.670 -1.735 1.00 0.00 C ATOM 1014 C GLY A 76 -6.944 18.736 -2.474 1.00 0.00 C ATOM 1015 O GLY A 76 -6.538 19.731 -1.880 1.00 0.00 O ATOM 0 H GLY A 76 -8.771 17.291 -3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.345 18.142 -0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.019 17.020 -1.209 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.711 18.505 -3.762 1.00 0.00 N ATOM 1020 CA ALA A 77 -6.006 19.454 -4.611 1.00 0.00 C ATOM 1021 C ALA A 77 -6.562 20.863 -4.440 1.00 0.00 C ATOM 1022 O ALA A 77 -5.812 21.824 -4.275 1.00 0.00 O ATOM 1023 CB ALA A 77 -6.118 19.020 -6.063 1.00 0.00 C ATOM 0 H ALA A 77 -7.006 17.656 -4.244 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.957 19.469 -4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.590 19.732 -6.697 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.677 18.030 -6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.168 18.986 -6.353 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.883 20.957 -4.450 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.583 22.228 -4.296 1.00 0.00 C ATOM 1031 C ASP A 78 -10.081 21.980 -4.386 1.00 0.00 C ATOM 1032 O ASP A 78 -10.766 22.507 -5.263 1.00 0.00 O ATOM 1033 CB ASP A 78 -8.154 23.230 -5.374 1.00 0.00 C ATOM 1034 CG ASP A 78 -8.426 24.666 -4.973 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -9.537 25.167 -5.235 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -7.513 25.308 -4.406 1.00 0.00 O ATOM 0 H ASP A 78 -8.502 20.155 -4.565 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.331 22.654 -3.325 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.090 23.108 -5.576 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.682 23.009 -6.302 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.575 21.129 -3.497 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.989 20.793 -3.482 1.00 0.00 C ATOM 1042 C GLY A 79 -12.346 19.827 -4.590 1.00 0.00 C ATOM 1043 O GLY A 79 -13.495 19.413 -4.727 1.00 0.00 O ATOM 0 H GLY A 79 -10.019 20.662 -2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.249 20.354 -2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.580 21.703 -3.587 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.342 19.461 -5.369 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.517 18.552 -6.483 1.00 0.00 C ATOM 1049 C GLN A 80 -10.688 17.294 -6.269 1.00 0.00 C ATOM 1050 O GLN A 80 -9.781 17.269 -5.427 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.115 19.240 -7.791 1.00 0.00 C ATOM 1052 CG GLN A 80 -9.659 19.682 -7.835 1.00 0.00 C ATOM 1053 CD GLN A 80 -9.319 20.448 -9.099 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -10.165 21.138 -9.667 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -8.082 20.331 -9.549 1.00 0.00 N ATOM 0 H GLN A 80 -10.384 19.787 -5.245 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.568 18.269 -6.546 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -11.303 18.558 -8.621 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -11.753 20.110 -7.943 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.447 20.307 -6.968 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.015 18.806 -7.761 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -7.410 19.749 -9.049 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -7.799 20.823 -10.397 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.006 16.262 -7.030 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.312 14.989 -6.937 1.00 0.00 C ATOM 1064 C TYR A 81 -9.503 14.742 -8.201 1.00 0.00 C ATOM 1065 O TYR A 81 -9.650 15.463 -9.189 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.325 13.855 -6.734 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.338 13.740 -7.853 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.063 12.991 -8.990 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -13.562 14.389 -7.778 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -12.974 12.895 -10.018 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -14.482 14.294 -8.803 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.182 13.545 -9.920 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.092 13.455 -10.950 1.00 0.00 O ATOM 0 H TYR A 81 -11.750 16.282 -7.728 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.634 15.017 -6.084 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.788 12.911 -6.643 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.852 14.014 -5.793 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.118 12.475 -9.069 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -13.799 14.978 -6.904 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.741 12.312 -10.897 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -15.431 14.804 -8.730 1.00 0.00 H new ATOM 0 HH TYR A 81 -15.894 13.970 -10.724 1.00 0.00 H new ATOM 1082 N HIS A 82 -8.655 13.729 -8.170 1.00 0.00 N ATOM 1083 CA HIS A 82 -7.842 13.378 -9.321 1.00 0.00 C ATOM 1084 C HIS A 82 -7.443 11.916 -9.238 1.00 0.00 C ATOM 1085 O HIS A 82 -7.031 11.430 -8.186 1.00 0.00 O ATOM 1086 CB HIS A 82 -6.589 14.251 -9.407 1.00 0.00 C ATOM 1087 CG HIS A 82 -5.843 14.116 -10.705 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -4.955 13.092 -10.965 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -5.855 14.891 -11.819 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -4.455 13.243 -12.178 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -4.982 14.325 -12.717 1.00 0.00 N ATOM 0 H HIS A 82 -8.511 13.132 -7.355 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.435 13.549 -10.219 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.874 15.294 -9.269 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -5.920 13.992 -8.586 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.441 15.785 -11.971 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.735 12.590 -12.649 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.775 14.684 -13.649 1.00 0.00 H new ATOM 1099 N ASP A 83 -7.562 11.230 -10.355 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.217 9.819 -10.432 1.00 0.00 C ATOM 1101 C ASP A 83 -5.711 9.668 -10.371 1.00 0.00 C ATOM 1102 O ASP A 83 -4.994 10.132 -11.255 1.00 0.00 O ATOM 1103 CB ASP A 83 -7.752 9.188 -11.723 1.00 0.00 C ATOM 1104 CG ASP A 83 -9.266 9.220 -11.812 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -9.809 10.215 -12.340 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -9.915 8.251 -11.370 1.00 0.00 O ATOM 0 H ASP A 83 -7.898 11.628 -11.232 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.676 9.303 -9.589 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.331 9.714 -12.580 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.411 8.155 -11.785 1.00 0.00 H new ATOM 1110 N SER A 84 -5.229 9.051 -9.314 1.00 0.00 N ATOM 1111 CA SER A 84 -3.806 8.860 -9.148 1.00 0.00 C ATOM 1112 C SER A 84 -3.502 7.411 -8.805 1.00 0.00 C ATOM 1113 O SER A 84 -4.405 6.627 -8.505 1.00 0.00 O ATOM 1114 CB SER A 84 -3.274 9.803 -8.064 1.00 0.00 C ATOM 1115 OG SER A 84 -1.856 9.793 -8.014 1.00 0.00 O ATOM 0 H SER A 84 -5.801 8.674 -8.558 1.00 0.00 H new ATOM 0 HA SER A 84 -3.304 9.096 -10.087 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.625 10.817 -8.258 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.675 9.507 -7.095 1.00 0.00 H new ATOM 0 HG SER A 84 -1.497 10.199 -8.830 1.00 0.00 H new ATOM 1120 N SER A 85 -2.234 7.052 -8.879 1.00 0.00 N ATOM 1121 CA SER A 85 -1.810 5.699 -8.581 1.00 0.00 C ATOM 1122 C SER A 85 -0.522 5.719 -7.786 1.00 0.00 C ATOM 1123 O SER A 85 0.211 6.709 -7.793 1.00 0.00 O ATOM 1124 CB SER A 85 -1.580 4.909 -9.858 1.00 0.00 C ATOM 1125 OG SER A 85 -2.253 5.508 -10.955 1.00 0.00 O ATOM 0 H SER A 85 -1.477 7.683 -9.144 1.00 0.00 H new ATOM 0 HA SER A 85 -2.600 5.223 -8.001 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.512 4.854 -10.068 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.932 3.886 -9.725 1.00 0.00 H new ATOM 0 HG SER A 85 -2.089 4.983 -11.766 1.00 0.00 H new ATOM 1130 N MET A 86 -0.241 4.616 -7.128 1.00 0.00 N ATOM 1131 CA MET A 86 0.947 4.499 -6.325 1.00 0.00 C ATOM 1132 C MET A 86 1.479 3.075 -6.373 1.00 0.00 C ATOM 1133 O MET A 86 0.744 2.126 -6.108 1.00 0.00 O ATOM 1134 CB MET A 86 0.611 4.886 -4.895 1.00 0.00 C ATOM 1135 CG MET A 86 1.809 4.968 -3.971 1.00 0.00 C ATOM 1136 SD MET A 86 2.757 6.495 -4.183 1.00 0.00 S ATOM 1137 CE MET A 86 3.437 6.327 -5.831 1.00 0.00 C ATOM 0 H MET A 86 -0.828 3.782 -7.137 1.00 0.00 H new ATOM 0 HA MET A 86 1.719 5.163 -6.714 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.106 5.852 -4.902 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.095 4.160 -4.491 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.470 4.897 -2.937 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.461 4.113 -4.152 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.373 6.882 -5.897 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.624 5.274 -6.042 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.729 6.723 -6.559 1.00 0.00 H new ATOM 1145 N ASP A 87 2.748 2.922 -6.725 1.00 0.00 N ATOM 1146 CA ASP A 87 3.353 1.598 -6.793 1.00 0.00 C ATOM 1147 C ASP A 87 3.701 1.116 -5.393 1.00 0.00 C ATOM 1148 O ASP A 87 4.620 1.626 -4.755 1.00 0.00 O ATOM 1149 CB ASP A 87 4.602 1.596 -7.677 1.00 0.00 C ATOM 1150 CG ASP A 87 5.127 0.196 -7.913 1.00 0.00 C ATOM 1151 OD1 ASP A 87 4.341 -0.766 -7.761 1.00 0.00 O ATOM 1152 OD2 ASP A 87 6.319 0.049 -8.260 1.00 0.00 O ATOM 0 H ASP A 87 3.374 3.690 -6.966 1.00 0.00 H new ATOM 0 HA ASP A 87 2.628 0.919 -7.241 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.369 2.062 -8.634 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.379 2.200 -7.209 1.00 0.00 H new ATOM 1156 N LEU A 88 2.948 0.136 -4.921 1.00 0.00 N ATOM 1157 CA LEU A 88 3.144 -0.422 -3.591 1.00 0.00 C ATOM 1158 C LEU A 88 4.259 -1.450 -3.603 1.00 0.00 C ATOM 1159 O LEU A 88 4.681 -1.934 -2.552 1.00 0.00 O ATOM 1160 CB LEU A 88 1.857 -1.075 -3.083 1.00 0.00 C ATOM 1161 CG LEU A 88 0.568 -0.301 -3.366 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.628 -1.044 -2.793 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.648 1.109 -2.789 1.00 0.00 C ATOM 0 H LEU A 88 2.186 -0.294 -5.446 1.00 0.00 H new ATOM 0 HA LEU A 88 3.417 0.395 -2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.771 -2.065 -3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.944 -1.219 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 88 0.444 -0.220 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.539 -0.483 -3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.697 -2.031 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.507 -1.152 -1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.279 1.642 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.795 1.053 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.485 1.641 -3.242 1.00 0.00 H new ATOM 1174 N ASN A 89 4.713 -1.798 -4.798 1.00 0.00 N ATOM 1175 CA ASN A 89 5.792 -2.773 -4.967 1.00 0.00 C ATOM 1176 C ASN A 89 7.013 -2.410 -4.120 1.00 0.00 C ATOM 1177 O ASN A 89 7.772 -3.289 -3.706 1.00 0.00 O ATOM 1178 CB ASN A 89 6.180 -2.876 -6.445 1.00 0.00 C ATOM 1179 CG ASN A 89 7.329 -3.832 -6.689 1.00 0.00 C ATOM 1180 OD1 ASN A 89 8.495 -3.437 -6.671 1.00 0.00 O ATOM 1181 ND2 ASN A 89 7.012 -5.090 -6.948 1.00 0.00 N ATOM 0 H ASN A 89 4.351 -1.419 -5.673 1.00 0.00 H new ATOM 0 HA ASN A 89 5.428 -3.741 -4.624 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.314 -3.203 -7.021 1.00 0.00 H new ATOM 0 HB3 ASN A 89 6.453 -1.887 -6.813 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.746 -5.771 -7.142 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.034 -5.379 -6.954 1.00 0.00 H new ATOM 1187 N TYR A 90 7.179 -1.126 -3.821 1.00 0.00 N ATOM 1188 CA TYR A 90 8.304 -0.687 -3.017 1.00 0.00 C ATOM 1189 C TYR A 90 7.833 -0.077 -1.703 1.00 0.00 C ATOM 1190 O TYR A 90 8.582 0.642 -1.044 1.00 0.00 O ATOM 1191 CB TYR A 90 9.195 0.292 -3.795 1.00 0.00 C ATOM 1192 CG TYR A 90 8.495 1.520 -4.347 1.00 0.00 C ATOM 1193 CD1 TYR A 90 8.308 2.651 -3.561 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.051 1.560 -5.663 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.700 3.782 -4.070 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.439 2.685 -6.176 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.265 3.793 -5.377 1.00 0.00 C ATOM 1198 OH TYR A 90 6.669 4.921 -5.892 1.00 0.00 O ATOM 0 H TYR A 90 6.552 -0.380 -4.122 1.00 0.00 H new ATOM 0 HA TYR A 90 8.906 -1.564 -2.780 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.002 0.620 -3.140 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.656 -0.245 -4.624 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.644 2.645 -2.535 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.187 0.695 -6.295 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.566 4.653 -3.446 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.098 2.697 -7.201 1.00 0.00 H new ATOM 0 HH TYR A 90 6.358 5.491 -5.158 1.00 0.00 H new ATOM 1207 N VAL A 91 6.583 -0.360 -1.329 1.00 0.00 N ATOM 1208 CA VAL A 91 6.035 0.153 -0.077 1.00 0.00 C ATOM 1209 C VAL A 91 5.538 -0.990 0.794 1.00 0.00 C ATOM 1210 O VAL A 91 5.211 -0.803 1.964 1.00 0.00 O ATOM 1211 CB VAL A 91 4.916 1.197 -0.290 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.288 2.141 -1.393 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.554 0.590 -0.540 1.00 0.00 C ATOM 0 H VAL A 91 5.939 -0.936 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 91 6.849 0.668 0.432 1.00 0.00 H new ATOM 0 HB VAL A 91 4.828 1.746 0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.490 2.871 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.212 2.658 -1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.433 1.582 -2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.822 1.385 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.591 -0.031 -1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.266 -0.022 0.315 1.00 0.00 H new ATOM 1223 N VAL A 92 5.477 -2.179 0.213 1.00 0.00 N ATOM 1224 CA VAL A 92 5.063 -3.365 0.944 1.00 0.00 C ATOM 1225 C VAL A 92 6.024 -4.493 0.642 1.00 0.00 C ATOM 1226 O VAL A 92 6.260 -4.813 -0.523 1.00 0.00 O ATOM 1227 CB VAL A 92 3.648 -3.867 0.577 1.00 0.00 C ATOM 1228 CG1 VAL A 92 3.112 -4.784 1.666 1.00 0.00 C ATOM 1229 CG2 VAL A 92 2.689 -2.728 0.316 1.00 0.00 C ATOM 0 H VAL A 92 5.710 -2.347 -0.766 1.00 0.00 H new ATOM 0 HA VAL A 92 5.058 -3.080 1.996 1.00 0.00 H new ATOM 0 HB VAL A 92 3.733 -4.432 -0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.115 -5.129 1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.775 -5.642 1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.062 -4.239 2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.708 -3.129 0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.608 -2.109 1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.059 -2.123 -0.512 1.00 0.00 H new ATOM 1239 N GLY A 93 6.609 -5.063 1.671 1.00 0.00 N ATOM 1240 CA GLY A 93 7.504 -6.171 1.466 1.00 0.00 C ATOM 1241 C GLY A 93 6.962 -7.439 2.080 1.00 0.00 C ATOM 1242 O GLY A 93 6.094 -7.392 2.955 1.00 0.00 O ATOM 0 H GLY A 93 6.482 -4.781 2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.661 -6.321 0.398 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.476 -5.941 1.902 1.00 0.00 H new ATOM 1246 N ASN A 94 7.449 -8.571 1.609 1.00 0.00 N ATOM 1247 CA ASN A 94 7.014 -9.860 2.126 1.00 0.00 C ATOM 1248 C ASN A 94 8.118 -10.484 2.963 1.00 0.00 C ATOM 1249 O ASN A 94 9.235 -10.689 2.483 1.00 0.00 O ATOM 1250 CB ASN A 94 6.634 -10.805 0.987 1.00 0.00 C ATOM 1251 CG ASN A 94 6.333 -12.211 1.479 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.816 -12.410 2.579 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.668 -13.198 0.670 1.00 0.00 N ATOM 0 H ASN A 94 8.148 -8.627 0.868 1.00 0.00 H new ATOM 0 HA ASN A 94 6.134 -9.698 2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.761 -10.410 0.466 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.448 -10.843 0.263 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.501 -14.165 0.948 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.094 -12.994 -0.234 1.00 0.00 H new ATOM 1259 N SER A 95 7.812 -10.768 4.213 1.00 0.00 N ATOM 1260 CA SER A 95 8.773 -11.364 5.108 1.00 0.00 C ATOM 1261 C SER A 95 8.131 -12.466 5.933 1.00 0.00 C ATOM 1262 O SER A 95 7.323 -12.198 6.824 1.00 0.00 O ATOM 1263 CB SER A 95 9.353 -10.300 6.023 1.00 0.00 C ATOM 1264 OG SER A 95 10.101 -9.346 5.284 1.00 0.00 O ATOM 0 H SER A 95 6.898 -10.593 4.631 1.00 0.00 H new ATOM 0 HA SER A 95 9.574 -11.804 4.513 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.548 -9.799 6.560 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.992 -10.768 6.771 1.00 0.00 H new ATOM 0 HG SER A 95 10.463 -8.670 5.894 1.00 0.00 H new ATOM 1269 N TYR A 96 8.474 -13.706 5.600 1.00 0.00 N ATOM 1270 CA TYR A 96 7.964 -14.872 6.309 1.00 0.00 C ATOM 1271 C TYR A 96 6.444 -14.960 6.211 1.00 0.00 C ATOM 1272 O TYR A 96 5.764 -15.310 7.174 1.00 0.00 O ATOM 1273 CB TYR A 96 8.415 -14.851 7.778 1.00 0.00 C ATOM 1274 CG TYR A 96 9.886 -15.162 7.967 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.872 -14.266 7.570 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.286 -16.363 8.537 1.00 0.00 C ATOM 1277 CE1 TYR A 96 12.213 -14.559 7.740 1.00 0.00 C ATOM 1278 CE2 TYR A 96 11.622 -16.663 8.709 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.581 -15.758 8.309 1.00 0.00 C ATOM 1280 OH TYR A 96 13.914 -16.061 8.469 1.00 0.00 O ATOM 0 H TYR A 96 9.110 -13.929 4.835 1.00 0.00 H new ATOM 0 HA TYR A 96 8.378 -15.761 5.833 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.203 -13.869 8.200 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.824 -15.574 8.341 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.586 -13.326 7.122 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.538 -17.076 8.852 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.967 -13.852 7.428 1.00 0.00 H new ATOM 0 HE2 TYR A 96 11.914 -17.602 9.155 1.00 0.00 H new ATOM 0 HH TYR A 96 14.001 -16.943 8.887 1.00 0.00 H new ATOM 1289 N GLY A 97 5.926 -14.659 5.023 1.00 0.00 N ATOM 1290 CA GLY A 97 4.496 -14.709 4.790 1.00 0.00 C ATOM 1291 C GLY A 97 3.730 -13.664 5.568 1.00 0.00 C ATOM 1292 O GLY A 97 2.518 -13.785 5.747 1.00 0.00 O ATOM 0 H GLY A 97 6.478 -14.379 4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.303 -14.575 3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.125 -15.698 5.059 1.00 0.00 H new ATOM 1296 N TYR A 98 4.427 -12.639 6.036 1.00 0.00 N ATOM 1297 CA TYR A 98 3.783 -11.585 6.792 1.00 0.00 C ATOM 1298 C TYR A 98 4.072 -10.239 6.143 1.00 0.00 C ATOM 1299 O TYR A 98 5.131 -10.045 5.541 1.00 0.00 O ATOM 1300 CB TYR A 98 4.266 -11.593 8.242 1.00 0.00 C ATOM 1301 CG TYR A 98 3.363 -10.817 9.174 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.191 -11.384 9.659 1.00 0.00 C ATOM 1303 CD2 TYR A 98 3.676 -9.522 9.567 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.356 -10.682 10.506 1.00 0.00 C ATOM 1305 CE2 TYR A 98 2.847 -8.814 10.414 1.00 0.00 C ATOM 1306 CZ TYR A 98 1.690 -9.398 10.881 1.00 0.00 C ATOM 1307 OH TYR A 98 0.857 -8.695 11.722 1.00 0.00 O ATOM 0 H TYR A 98 5.431 -12.518 5.905 1.00 0.00 H new ATOM 0 HA TYR A 98 2.707 -11.756 6.792 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.336 -12.624 8.589 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.271 -11.173 8.286 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.929 -12.391 9.369 1.00 0.00 H new ATOM 0 HD2 TYR A 98 4.583 -9.061 9.204 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.447 -11.136 10.872 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.104 -7.807 10.709 1.00 0.00 H new ATOM 0 HH TYR A 98 1.236 -7.807 11.890 1.00 0.00 H new ATOM 1316 N MET A 99 3.116 -9.325 6.254 1.00 0.00 N ATOM 1317 CA MET A 99 3.253 -7.997 5.673 1.00 0.00 C ATOM 1318 C MET A 99 4.361 -7.195 6.345 1.00 0.00 C ATOM 1319 O MET A 99 4.398 -7.055 7.568 1.00 0.00 O ATOM 1320 CB MET A 99 1.940 -7.212 5.770 1.00 0.00 C ATOM 1321 CG MET A 99 1.493 -6.913 7.197 1.00 0.00 C ATOM 1322 SD MET A 99 0.442 -5.450 7.306 1.00 0.00 S ATOM 1323 CE MET A 99 0.089 -5.413 9.062 1.00 0.00 C ATOM 0 H MET A 99 2.235 -9.481 6.743 1.00 0.00 H new ATOM 0 HA MET A 99 3.513 -8.144 4.625 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.052 -6.271 5.232 1.00 0.00 H new ATOM 0 HB3 MET A 99 1.155 -7.776 5.266 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.953 -7.773 7.592 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.372 -6.772 7.826 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.553 -4.561 9.286 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.417 -6.334 9.351 1.00 0.00 H new ATOM 0 HE3 MET A 99 1.022 -5.321 9.619 1.00 0.00 H new ATOM 1331 N GLU A 100 5.258 -6.668 5.534 1.00 0.00 N ATOM 1332 CA GLU A 100 6.351 -5.843 6.019 1.00 0.00 C ATOM 1333 C GLU A 100 6.462 -4.602 5.157 1.00 0.00 C ATOM 1334 O GLU A 100 7.347 -4.488 4.308 1.00 0.00 O ATOM 1335 CB GLU A 100 7.664 -6.618 6.026 1.00 0.00 C ATOM 1336 CG GLU A 100 7.808 -7.516 7.236 1.00 0.00 C ATOM 1337 CD GLU A 100 7.908 -6.734 8.527 1.00 0.00 C ATOM 1338 OE1 GLU A 100 8.562 -5.669 8.536 1.00 0.00 O ATOM 1339 OE2 GLU A 100 7.345 -7.182 9.546 1.00 0.00 O ATOM 0 H GLU A 100 5.251 -6.798 4.522 1.00 0.00 H new ATOM 0 HA GLU A 100 6.143 -5.549 7.048 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.729 -7.222 5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.496 -5.914 6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.953 -8.190 7.288 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.697 -8.136 7.121 1.00 0.00 H new ATOM 1344 N PRO A 101 5.534 -3.663 5.358 1.00 0.00 N ATOM 1345 CA PRO A 101 5.493 -2.420 4.598 1.00 0.00 C ATOM 1346 C PRO A 101 6.743 -1.574 4.809 1.00 0.00 C ATOM 1347 O PRO A 101 7.225 -1.408 5.932 1.00 0.00 O ATOM 1348 CB PRO A 101 4.242 -1.711 5.125 1.00 0.00 C ATOM 1349 CG PRO A 101 3.990 -2.317 6.461 1.00 0.00 C ATOM 1350 CD PRO A 101 4.463 -3.736 6.363 1.00 0.00 C ATOM 0 HA PRO A 101 5.459 -2.597 3.523 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.401 -0.636 5.203 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.393 -1.860 4.458 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.527 -1.779 7.242 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.931 -2.275 6.716 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.833 -4.104 7.320 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.663 -4.407 6.051 1.00 0.00 H new ATOM 1355 N CYS A 102 7.262 -1.054 3.715 1.00 0.00 N ATOM 1356 CA CYS A 102 8.459 -0.240 3.739 1.00 0.00 C ATOM 1357 C CYS A 102 8.191 1.127 3.114 1.00 0.00 C ATOM 1358 O CYS A 102 7.961 1.237 1.915 1.00 0.00 O ATOM 1359 CB CYS A 102 9.584 -0.958 2.991 1.00 0.00 C ATOM 1360 SG CYS A 102 9.082 -1.622 1.368 1.00 0.00 S ATOM 0 H CYS A 102 6.865 -1.184 2.784 1.00 0.00 H new ATOM 0 HA CYS A 102 8.761 -0.086 4.775 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.413 -0.265 2.849 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.954 -1.776 3.609 1.00 0.00 H new