USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASN : amide:sc= -0.0361 X(o=-0.036,f=-0.49) USER MOD Single : A 1 ASN N :NH3+ -114:sc= 0.0681 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.196 K(o=-0.2,f=-2.2!) USER MOD Single : A 4 SER OG : rot 3:sc= 1.21 USER MOD Single : A 8 ASN : amide:sc= -1.47 K(o=-1.5,f=-3.3!) USER MOD Single : A 9 GLN : amide:sc= -0.265 X(o=-0.27,f=-0.35) USER MOD Single : A 14 ASN : amide:sc= -0.394 K(o=-0.39,f=-0.95) USER MOD Single : A 15 THR OG1 : rot 93:sc= -0.731 USER MOD Single : A 18 THR OG1 : rot -106:sc= 1.45 USER MOD Single : A 21 MET CE :methyl 162:sc= -2.76 (180deg=-3.99!) USER MOD Single : A 22 MET CE :methyl -144:sc= -1.67 (180deg=-4.03!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0177 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.723 USER MOD Single : A 42 SER OG : rot -64:sc= 0.88 USER MOD Single : A 43 MET CE :methyl -137:sc= -0.087 (180deg=-1.87) USER MOD Single : A 44 GLN : amide:sc= -1.72 K(o=-1.7,f=-9.4!) USER MOD Single : A 46 ASN : amide:sc= -5.53 X(o=-5.5,f=-5.9!) USER MOD Single : A 53 THR OG1 : rot 74:sc= 1.04 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0344 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -175:sc= -0.48 (180deg=-0.597) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= -1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -14.096 -12.574 -3.400 1.00 0.00 N ATOM 2 CA ASN A 1 -13.954 -11.170 -3.880 1.00 0.00 C ATOM 3 C ASN A 1 -12.486 -10.880 -4.174 1.00 0.00 C ATOM 4 O ASN A 1 -11.588 -11.506 -3.609 1.00 0.00 O ATOM 5 CB ASN A 1 -14.458 -10.209 -2.802 1.00 0.00 C ATOM 6 CG ASN A 1 -15.979 -10.287 -2.722 1.00 0.00 C ATOM 7 OD1 ASN A 1 -16.664 -10.243 -3.743 1.00 0.00 O ATOM 8 ND2 ASN A 1 -16.553 -10.400 -1.556 1.00 0.00 N ATOM 0 H1 ASN A 1 -14.637 -13.126 -4.096 1.00 0.00 H new ATOM 0 H2 ASN A 1 -13.153 -12.997 -3.280 1.00 0.00 H new ATOM 0 H3 ASN A 1 -14.597 -12.580 -2.489 1.00 0.00 H new ATOM 0 HA ASN A 1 -14.540 -11.035 -4.789 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -14.019 -10.465 -1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -14.147 -9.190 -3.034 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -17.570 -10.452 -1.491 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -15.985 -10.437 -0.709 1.00 0.00 H new ATOM 15 N GLN A 2 -12.251 -9.921 -5.065 1.00 0.00 N ATOM 16 CA GLN A 2 -10.886 -9.551 -5.430 1.00 0.00 C ATOM 17 C GLN A 2 -10.278 -8.644 -4.365 1.00 0.00 C ATOM 18 O GLN A 2 -10.667 -7.485 -4.220 1.00 0.00 O ATOM 19 CB GLN A 2 -10.869 -8.822 -6.774 1.00 0.00 C ATOM 20 CG GLN A 2 -9.493 -8.981 -7.425 1.00 0.00 C ATOM 21 CD GLN A 2 -9.624 -8.833 -8.937 1.00 0.00 C ATOM 22 OE1 GLN A 2 -10.675 -9.125 -9.508 1.00 0.00 O ATOM 23 NE2 GLN A 2 -8.609 -8.392 -9.627 1.00 0.00 N ATOM 0 H GLN A 2 -12.979 -9.391 -5.544 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.299 -10.466 -5.507 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -11.641 -9.226 -7.428 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.095 -7.765 -6.629 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.805 -8.231 -7.034 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.074 -9.957 -7.180 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.738 -8.150 -9.155 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.686 -8.289 -10.639 1.00 0.00 H new ATOM 32 N ALA A 3 -9.319 -9.187 -3.621 1.00 0.00 N ATOM 33 CA ALA A 3 -8.660 -8.421 -2.567 1.00 0.00 C ATOM 34 C ALA A 3 -7.614 -7.484 -3.164 1.00 0.00 C ATOM 35 O ALA A 3 -6.725 -7.911 -3.900 1.00 0.00 O ATOM 36 CB ALA A 3 -7.979 -9.358 -1.569 1.00 0.00 C ATOM 0 H ALA A 3 -8.983 -10.144 -3.726 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.421 -7.835 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.493 -8.770 -0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.725 -10.012 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.233 -9.961 -2.087 1.00 0.00 H new ATOM 42 N SER A 4 -7.732 -6.200 -2.836 1.00 0.00 N ATOM 43 CA SER A 4 -6.791 -5.204 -3.342 1.00 0.00 C ATOM 44 C SER A 4 -5.635 -5.019 -2.363 1.00 0.00 C ATOM 45 O SER A 4 -5.498 -5.765 -1.395 1.00 0.00 O ATOM 46 CB SER A 4 -7.493 -3.862 -3.548 1.00 0.00 C ATOM 47 OG SER A 4 -6.849 -3.152 -4.598 1.00 0.00 O ATOM 0 H SER A 4 -8.462 -5.827 -2.229 1.00 0.00 H new ATOM 0 HA SER A 4 -6.404 -5.559 -4.297 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.543 -4.021 -3.792 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.465 -3.278 -2.628 1.00 0.00 H new ATOM 0 HG SER A 4 -6.138 -3.708 -4.981 1.00 0.00 H new ATOM 53 N VAL A 5 -4.805 -4.013 -2.628 1.00 0.00 N ATOM 54 CA VAL A 5 -3.660 -3.735 -1.763 1.00 0.00 C ATOM 55 C VAL A 5 -3.848 -2.403 -1.045 1.00 0.00 C ATOM 56 O VAL A 5 -3.452 -1.351 -1.545 1.00 0.00 O ATOM 57 CB VAL A 5 -2.367 -3.683 -2.581 1.00 0.00 C ATOM 58 CG1 VAL A 5 -1.166 -3.596 -1.636 1.00 0.00 C ATOM 59 CG2 VAL A 5 -2.248 -4.950 -3.432 1.00 0.00 C ATOM 0 H VAL A 5 -4.901 -3.383 -3.425 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.591 -4.538 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.386 -2.807 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.246 -3.559 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.246 -2.695 -1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.149 -4.472 -0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.327 -4.912 -4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.231 -5.825 -2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.101 -5.016 -4.107 1.00 0.00 H new ATOM 69 N VAL A 6 -4.457 -2.461 0.137 1.00 0.00 N ATOM 70 CA VAL A 6 -4.692 -1.252 0.920 1.00 0.00 C ATOM 71 C VAL A 6 -3.515 -0.994 1.858 1.00 0.00 C ATOM 72 O VAL A 6 -2.790 -1.914 2.237 1.00 0.00 O ATOM 73 CB VAL A 6 -5.972 -1.389 1.749 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.291 -0.056 2.431 1.00 0.00 C ATOM 75 CG2 VAL A 6 -7.133 -1.773 0.828 1.00 0.00 C ATOM 0 H VAL A 6 -4.793 -3.322 0.569 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.799 -0.416 0.229 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.830 -2.160 2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.203 -0.158 3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.466 0.225 3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.432 0.715 1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.046 -1.871 1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.269 -0.999 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.912 -2.722 0.340 1.00 0.00 H new ATOM 85 N ALA A 7 -3.335 0.271 2.226 1.00 0.00 N ATOM 86 CA ALA A 7 -2.244 0.645 3.121 1.00 0.00 C ATOM 87 C ALA A 7 -2.620 0.349 4.570 1.00 0.00 C ATOM 88 O ALA A 7 -3.702 0.709 5.032 1.00 0.00 O ATOM 89 CB ALA A 7 -1.923 2.134 2.984 1.00 0.00 C ATOM 0 H ALA A 7 -3.923 1.047 1.923 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.367 0.059 2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.107 2.394 3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.627 2.349 1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.805 2.721 3.238 1.00 0.00 H new ATOM 95 N ASN A 8 -1.710 -0.311 5.282 1.00 0.00 N ATOM 96 CA ASN A 8 -1.953 -0.652 6.682 1.00 0.00 C ATOM 97 C ASN A 8 -1.091 0.209 7.598 1.00 0.00 C ATOM 98 O ASN A 8 -0.673 -0.226 8.672 1.00 0.00 O ATOM 99 CB ASN A 8 -1.634 -2.126 6.939 1.00 0.00 C ATOM 100 CG ASN A 8 -2.515 -2.650 8.068 1.00 0.00 C ATOM 101 OD1 ASN A 8 -3.675 -2.258 8.191 1.00 0.00 O ATOM 102 ND2 ASN A 8 -2.027 -3.520 8.909 1.00 0.00 N ATOM 0 H ASN A 8 -0.808 -0.618 4.919 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.006 -0.467 6.894 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.802 -2.708 6.033 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.582 -2.241 7.201 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.607 -3.876 9.669 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.065 -3.845 8.807 1.00 0.00 H new ATOM 109 N GLN A 9 -0.827 1.438 7.163 1.00 0.00 N ATOM 110 CA GLN A 9 -0.011 2.360 7.948 1.00 0.00 C ATOM 111 C GLN A 9 0.101 3.702 7.230 1.00 0.00 C ATOM 112 O GLN A 9 -0.096 3.792 6.018 1.00 0.00 O ATOM 113 CB GLN A 9 1.396 1.780 8.166 1.00 0.00 C ATOM 114 CG GLN A 9 1.551 1.317 9.618 1.00 0.00 C ATOM 115 CD GLN A 9 3.008 1.460 10.045 1.00 0.00 C ATOM 116 OE1 GLN A 9 3.610 0.511 10.547 1.00 0.00 O ATOM 117 NE2 GLN A 9 3.616 2.602 9.874 1.00 0.00 N ATOM 0 H GLN A 9 -1.163 1.817 6.278 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.491 2.504 8.916 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.562 0.942 7.489 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.149 2.533 7.933 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.910 1.910 10.270 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.232 0.279 9.716 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.117 3.388 9.458 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.590 2.708 10.156 1.00 0.00 H new ATOM 126 N LEU A 10 0.419 4.744 7.992 1.00 0.00 N ATOM 127 CA LEU A 10 0.557 6.078 7.417 1.00 0.00 C ATOM 128 C LEU A 10 1.807 6.153 6.545 1.00 0.00 C ATOM 129 O LEU A 10 2.917 6.344 7.040 1.00 0.00 O ATOM 130 CB LEU A 10 0.656 7.132 8.523 1.00 0.00 C ATOM 131 CG LEU A 10 0.587 8.530 7.907 1.00 0.00 C ATOM 132 CD1 LEU A 10 -0.793 8.749 7.284 1.00 0.00 C ATOM 133 CD2 LEU A 10 0.826 9.579 8.995 1.00 0.00 C ATOM 0 H LEU A 10 0.584 4.693 8.997 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.325 6.275 6.808 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.154 6.999 9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.590 7.011 9.072 1.00 0.00 H new ATOM 0 HG LEU A 10 1.352 8.623 7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.840 9.746 6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.965 8.003 6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.559 8.655 8.054 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.777 10.576 8.556 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.062 9.484 9.766 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.810 9.426 9.438 1.00 0.00 H new ATOM 145 N ILE A 11 1.609 5.998 5.239 1.00 0.00 N ATOM 146 CA ILE A 11 2.725 6.046 4.297 1.00 0.00 C ATOM 147 C ILE A 11 2.951 7.489 3.820 1.00 0.00 C ATOM 148 O ILE A 11 2.110 8.043 3.111 1.00 0.00 O ATOM 149 CB ILE A 11 2.431 5.164 3.079 1.00 0.00 C ATOM 150 CG1 ILE A 11 2.057 3.751 3.539 1.00 0.00 C ATOM 151 CG2 ILE A 11 3.673 5.091 2.187 1.00 0.00 C ATOM 152 CD1 ILE A 11 1.143 3.101 2.500 1.00 0.00 C ATOM 0 H ILE A 11 0.697 5.840 4.811 1.00 0.00 H new ATOM 0 HA ILE A 11 3.617 5.681 4.805 1.00 0.00 H new ATOM 0 HB ILE A 11 1.601 5.595 2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.957 3.151 3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.555 3.793 4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.463 4.463 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.940 6.093 1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.502 4.664 2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.877 2.096 2.827 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.238 3.698 2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.662 3.046 1.543 1.00 0.00 H new ATOM 164 N PRO A 12 4.078 8.128 4.193 1.00 0.00 N ATOM 165 CA PRO A 12 4.355 9.514 3.769 1.00 0.00 C ATOM 166 C PRO A 12 4.929 9.594 2.357 1.00 0.00 C ATOM 167 O PRO A 12 5.495 8.628 1.845 1.00 0.00 O ATOM 168 CB PRO A 12 5.383 9.970 4.797 1.00 0.00 C ATOM 169 CG PRO A 12 6.060 8.717 5.339 1.00 0.00 C ATOM 170 CD PRO A 12 5.136 7.532 5.043 1.00 0.00 C ATOM 0 HA PRO A 12 3.455 10.127 3.730 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.115 10.637 4.341 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.903 10.527 5.601 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.032 8.572 4.868 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.235 8.809 6.411 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.663 6.730 4.526 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.724 7.105 5.957 1.00 0.00 H new ATOM 178 N ILE A 13 4.774 10.758 1.734 1.00 0.00 N ATOM 179 CA ILE A 13 5.278 10.960 0.379 1.00 0.00 C ATOM 180 C ILE A 13 6.800 10.802 0.347 1.00 0.00 C ATOM 181 O ILE A 13 7.482 11.016 1.349 1.00 0.00 O ATOM 182 CB ILE A 13 4.881 12.354 -0.136 1.00 0.00 C ATOM 183 CG1 ILE A 13 5.320 12.499 -1.598 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.544 13.442 0.719 1.00 0.00 C ATOM 185 CD1 ILE A 13 4.852 13.849 -2.150 1.00 0.00 C ATOM 0 H ILE A 13 4.308 11.569 2.141 1.00 0.00 H new ATOM 0 HA ILE A 13 4.834 10.206 -0.271 1.00 0.00 H new ATOM 0 HB ILE A 13 3.799 12.468 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.405 12.423 -1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.903 11.688 -2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.256 14.425 0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.220 13.339 1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.628 13.337 0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.167 13.946 -3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.765 13.908 -2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.291 14.655 -1.561 1.00 0.00 H new ATOM 197 N ASN A 14 7.320 10.425 -0.819 1.00 0.00 N ATOM 198 CA ASN A 14 8.761 10.239 -0.980 1.00 0.00 C ATOM 199 C ASN A 14 9.269 9.154 -0.034 1.00 0.00 C ATOM 200 O ASN A 14 10.400 9.210 0.449 1.00 0.00 O ATOM 201 CB ASN A 14 9.508 11.543 -0.691 1.00 0.00 C ATOM 202 CG ASN A 14 9.064 12.614 -1.681 1.00 0.00 C ATOM 203 OD1 ASN A 14 8.917 12.344 -2.872 1.00 0.00 O ATOM 204 ND2 ASN A 14 8.840 13.827 -1.254 1.00 0.00 N ATOM 0 H ASN A 14 6.771 10.244 -1.659 1.00 0.00 H new ATOM 0 HA ASN A 14 8.946 9.938 -2.011 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.308 11.871 0.329 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.583 11.384 -0.770 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.543 14.551 -1.908 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.962 14.051 -0.266 1.00 0.00 H new ATOM 211 N THR A 15 8.417 8.165 0.226 1.00 0.00 N ATOM 212 CA THR A 15 8.788 7.069 1.118 1.00 0.00 C ATOM 213 C THR A 15 8.421 5.727 0.494 1.00 0.00 C ATOM 214 O THR A 15 7.342 5.565 -0.076 1.00 0.00 O ATOM 215 CB THR A 15 8.073 7.208 2.463 1.00 0.00 C ATOM 216 OG1 THR A 15 8.276 8.518 2.973 1.00 0.00 O ATOM 217 CG2 THR A 15 8.633 6.182 3.450 1.00 0.00 C ATOM 0 H THR A 15 7.476 8.099 -0.163 1.00 0.00 H new ATOM 0 HA THR A 15 9.866 7.113 1.275 1.00 0.00 H new ATOM 0 HB THR A 15 7.006 7.032 2.327 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.539 9.098 2.688 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.123 6.282 4.408 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.476 5.177 3.058 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.700 6.355 3.588 1.00 0.00 H new ATOM 225 N ALA A 16 9.332 4.765 0.610 1.00 0.00 N ATOM 226 CA ALA A 16 9.098 3.435 0.055 1.00 0.00 C ATOM 227 C ALA A 16 8.098 2.668 0.913 1.00 0.00 C ATOM 228 O ALA A 16 7.929 2.951 2.099 1.00 0.00 O ATOM 229 CB ALA A 16 10.406 2.645 -0.011 1.00 0.00 C ATOM 0 H ALA A 16 10.231 4.879 1.079 1.00 0.00 H new ATOM 0 HA ALA A 16 8.696 3.556 -0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.213 1.656 -0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.118 3.173 -0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.820 2.542 0.992 1.00 0.00 H new ATOM 235 N LEU A 17 7.435 1.693 0.297 1.00 0.00 N ATOM 236 CA LEU A 17 6.449 0.887 1.011 1.00 0.00 C ATOM 237 C LEU A 17 7.113 -0.335 1.636 1.00 0.00 C ATOM 238 O LEU A 17 8.273 -0.640 1.360 1.00 0.00 O ATOM 239 CB LEU A 17 5.347 0.423 0.059 1.00 0.00 C ATOM 240 CG LEU A 17 4.713 1.638 -0.620 1.00 0.00 C ATOM 241 CD1 LEU A 17 3.937 1.187 -1.858 1.00 0.00 C ATOM 242 CD2 LEU A 17 3.757 2.325 0.359 1.00 0.00 C ATOM 0 H LEU A 17 7.560 1.444 -0.684 1.00 0.00 H new ATOM 0 HA LEU A 17 6.013 1.505 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.760 -0.251 -0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.589 -0.136 0.608 1.00 0.00 H new ATOM 0 HG LEU A 17 5.495 2.336 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.486 2.054 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.617 0.697 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.154 0.488 -1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.304 3.191 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.976 1.625 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.310 2.648 1.241 1.00 0.00 H new ATOM 254 N THR A 18 6.363 -1.033 2.484 1.00 0.00 N ATOM 255 CA THR A 18 6.885 -2.224 3.148 1.00 0.00 C ATOM 256 C THR A 18 5.758 -3.211 3.434 1.00 0.00 C ATOM 257 O THR A 18 4.585 -2.917 3.208 1.00 0.00 O ATOM 258 CB THR A 18 7.567 -1.849 4.466 1.00 0.00 C ATOM 259 OG1 THR A 18 6.599 -1.321 5.363 1.00 0.00 O ATOM 260 CG2 THR A 18 8.648 -0.799 4.204 1.00 0.00 C ATOM 0 H THR A 18 5.401 -0.798 2.726 1.00 0.00 H new ATOM 0 HA THR A 18 7.614 -2.687 2.483 1.00 0.00 H new ATOM 0 HB THR A 18 8.025 -2.736 4.904 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.709 -0.349 5.428 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.132 -0.533 5.144 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.389 -1.204 3.515 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.193 0.090 3.766 1.00 0.00 H new ATOM 268 N LEU A 19 6.129 -4.385 3.938 1.00 0.00 N ATOM 269 CA LEU A 19 5.141 -5.412 4.254 1.00 0.00 C ATOM 270 C LEU A 19 4.186 -4.915 5.335 1.00 0.00 C ATOM 271 O LEU A 19 2.994 -5.219 5.320 1.00 0.00 O ATOM 272 CB LEU A 19 5.830 -6.687 4.748 1.00 0.00 C ATOM 273 CG LEU A 19 6.833 -7.164 3.696 1.00 0.00 C ATOM 274 CD1 LEU A 19 8.008 -7.857 4.388 1.00 0.00 C ATOM 275 CD2 LEU A 19 6.147 -8.151 2.748 1.00 0.00 C ATOM 0 H LEU A 19 7.095 -4.647 4.135 1.00 0.00 H new ATOM 0 HA LEU A 19 4.582 -5.632 3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.340 -6.495 5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.089 -7.463 4.938 1.00 0.00 H new ATOM 0 HG LEU A 19 7.199 -6.308 3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.723 -8.197 3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.497 -7.156 5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.643 -8.713 4.955 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.861 -8.491 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.782 -9.007 3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.309 -7.659 2.254 1.00 0.00 H new ATOM 287 N VAL A 20 4.728 -4.143 6.273 1.00 0.00 N ATOM 288 CA VAL A 20 3.918 -3.601 7.362 1.00 0.00 C ATOM 289 C VAL A 20 2.977 -2.519 6.839 1.00 0.00 C ATOM 290 O VAL A 20 1.885 -2.316 7.372 1.00 0.00 O ATOM 291 CB VAL A 20 4.814 -3.000 8.450 1.00 0.00 C ATOM 292 CG1 VAL A 20 3.962 -2.625 9.665 1.00 0.00 C ATOM 293 CG2 VAL A 20 5.869 -4.027 8.869 1.00 0.00 C ATOM 0 H VAL A 20 5.713 -3.880 6.303 1.00 0.00 H new ATOM 0 HA VAL A 20 3.333 -4.418 7.785 1.00 0.00 H new ATOM 0 HB VAL A 20 5.307 -2.109 8.061 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.600 -2.198 10.439 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.210 -1.894 9.370 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.469 -3.516 10.053 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.506 -3.599 9.643 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.375 -4.918 9.257 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.478 -4.296 8.006 1.00 0.00 H new ATOM 303 N MET A 21 3.410 -1.825 5.789 1.00 0.00 N ATOM 304 CA MET A 21 2.599 -0.763 5.199 1.00 0.00 C ATOM 305 C MET A 21 1.814 -1.279 3.992 1.00 0.00 C ATOM 306 O MET A 21 1.475 -0.517 3.087 1.00 0.00 O ATOM 307 CB MET A 21 3.491 0.396 4.754 1.00 0.00 C ATOM 308 CG MET A 21 4.175 1.005 5.980 1.00 0.00 C ATOM 309 SD MET A 21 5.819 1.614 5.523 1.00 0.00 S ATOM 310 CE MET A 21 5.275 3.047 4.563 1.00 0.00 C ATOM 0 H MET A 21 4.310 -1.977 5.333 1.00 0.00 H new ATOM 0 HA MET A 21 1.897 -0.419 5.958 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.239 0.043 4.044 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.896 1.152 4.242 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.572 1.821 6.377 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.260 0.258 6.769 1.00 0.00 H new ATOM 0 HE1 MET A 21 6.104 3.746 4.450 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.940 2.720 3.579 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.452 3.541 5.080 1.00 0.00 H new ATOM 320 N MET A 22 1.526 -2.579 3.988 1.00 0.00 N ATOM 321 CA MET A 22 0.779 -3.181 2.887 1.00 0.00 C ATOM 322 C MET A 22 -0.030 -4.374 3.385 1.00 0.00 C ATOM 323 O MET A 22 0.429 -5.143 4.231 1.00 0.00 O ATOM 324 CB MET A 22 1.730 -3.649 1.784 1.00 0.00 C ATOM 325 CG MET A 22 2.244 -2.437 1.003 1.00 0.00 C ATOM 326 SD MET A 22 2.589 -2.920 -0.707 1.00 0.00 S ATOM 327 CE MET A 22 3.762 -4.247 -0.338 1.00 0.00 C ATOM 0 H MET A 22 1.795 -3.229 4.726 1.00 0.00 H new ATOM 0 HA MET A 22 0.105 -2.425 2.485 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.567 -4.196 2.219 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.215 -4.336 1.112 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.503 -1.637 1.024 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.148 -2.047 1.471 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.544 -4.263 -1.097 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.210 -4.075 0.641 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.240 -5.204 -0.335 1.00 0.00 H new ATOM 337 N ARG A 23 -1.239 -4.522 2.851 1.00 0.00 N ATOM 338 CA ARG A 23 -2.106 -5.627 3.249 1.00 0.00 C ATOM 339 C ARG A 23 -3.157 -5.894 2.178 1.00 0.00 C ATOM 340 O ARG A 23 -3.179 -5.245 1.132 1.00 0.00 O ATOM 341 CB ARG A 23 -2.809 -5.310 4.571 1.00 0.00 C ATOM 342 CG ARG A 23 -3.555 -3.980 4.449 1.00 0.00 C ATOM 343 CD ARG A 23 -4.451 -3.783 5.672 1.00 0.00 C ATOM 344 NE ARG A 23 -5.694 -4.535 5.525 1.00 0.00 N ATOM 345 CZ ARG A 23 -6.355 -4.981 6.590 1.00 0.00 C ATOM 346 NH1 ARG A 23 -6.623 -4.171 7.577 1.00 0.00 N ATOM 347 NH2 ARG A 23 -6.736 -6.228 6.646 1.00 0.00 N ATOM 0 H ARG A 23 -1.638 -3.898 2.149 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.483 -6.513 3.374 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.507 -6.108 4.824 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.079 -5.257 5.379 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.844 -3.158 4.370 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.156 -3.970 3.540 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.926 -4.109 6.570 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.673 -2.724 5.800 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.061 -4.721 4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.326 -3.196 7.532 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.130 -4.512 8.394 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.527 -6.860 5.873 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.243 -6.570 7.462 1.00 0.00 H new ATOM 361 N SER A 24 -4.031 -6.859 2.452 1.00 0.00 N ATOM 362 CA SER A 24 -5.086 -7.208 1.506 1.00 0.00 C ATOM 363 C SER A 24 -6.457 -6.904 2.102 1.00 0.00 C ATOM 364 O SER A 24 -6.766 -7.306 3.224 1.00 0.00 O ATOM 365 CB SER A 24 -5.017 -8.694 1.150 1.00 0.00 C ATOM 366 OG SER A 24 -3.666 -9.051 0.889 1.00 0.00 O ATOM 0 H SER A 24 -4.030 -7.408 3.312 1.00 0.00 H new ATOM 0 HA SER A 24 -4.940 -6.612 0.605 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.413 -9.295 1.969 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.635 -8.900 0.276 1.00 0.00 H new ATOM 0 HG SER A 24 -3.617 -10.003 0.662 1.00 0.00 H new ATOM 372 N GLU A 25 -7.274 -6.186 1.337 1.00 0.00 N ATOM 373 CA GLU A 25 -8.614 -5.829 1.798 1.00 0.00 C ATOM 374 C GLU A 25 -9.512 -5.494 0.611 1.00 0.00 C ATOM 375 O GLU A 25 -9.089 -4.841 -0.342 1.00 0.00 O ATOM 376 CB GLU A 25 -8.553 -4.620 2.733 1.00 0.00 C ATOM 377 CG GLU A 25 -9.841 -4.543 3.555 1.00 0.00 C ATOM 378 CD GLU A 25 -10.092 -3.099 3.977 1.00 0.00 C ATOM 379 OE1 GLU A 25 -10.170 -2.253 3.102 1.00 0.00 O ATOM 380 OE2 GLU A 25 -10.203 -2.861 5.167 1.00 0.00 O ATOM 0 H GLU A 25 -7.037 -5.843 0.406 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.025 -6.683 2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.691 -4.703 3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.424 -3.706 2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.682 -4.912 2.968 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.762 -5.181 4.435 1.00 0.00 H new ATOM 387 N VAL A 26 -10.760 -5.951 0.682 1.00 0.00 N ATOM 388 CA VAL A 26 -11.716 -5.696 -0.393 1.00 0.00 C ATOM 389 C VAL A 26 -12.209 -4.253 -0.331 1.00 0.00 C ATOM 390 O VAL A 26 -12.776 -3.818 0.671 1.00 0.00 O ATOM 391 CB VAL A 26 -12.916 -6.640 -0.282 1.00 0.00 C ATOM 392 CG1 VAL A 26 -13.803 -6.490 -1.520 1.00 0.00 C ATOM 393 CG2 VAL A 26 -12.421 -8.086 -0.186 1.00 0.00 C ATOM 0 H VAL A 26 -11.130 -6.493 1.463 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.210 -5.869 -1.343 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.491 -6.390 0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.657 -7.163 -1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.157 -5.462 -1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.228 -6.739 -2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.275 -8.758 -0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.846 -8.334 -1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.789 -8.197 0.695 1.00 0.00 H new ATOM 403 N VAL A 27 -11.986 -3.517 -1.417 1.00 0.00 N ATOM 404 CA VAL A 27 -12.412 -2.122 -1.479 1.00 0.00 C ATOM 405 C VAL A 27 -12.672 -1.708 -2.924 1.00 0.00 C ATOM 406 O VAL A 27 -12.210 -2.357 -3.863 1.00 0.00 O ATOM 407 CB VAL A 27 -11.339 -1.207 -0.884 1.00 0.00 C ATOM 408 CG1 VAL A 27 -11.194 -1.496 0.610 1.00 0.00 C ATOM 409 CG2 VAL A 27 -10.004 -1.467 -1.585 1.00 0.00 C ATOM 0 H VAL A 27 -11.518 -3.858 -2.257 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.332 -2.025 -0.902 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.629 -0.166 -1.026 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.430 -0.845 1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.145 -1.313 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.903 -2.537 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.238 -0.816 -1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.715 -2.508 -1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.107 -1.262 -2.651 1.00 0.00 H new ATOM 419 N THR A 28 -13.417 -0.619 -3.091 1.00 0.00 N ATOM 420 CA THR A 28 -13.735 -0.123 -4.428 1.00 0.00 C ATOM 421 C THR A 28 -13.118 1.265 -4.640 1.00 0.00 C ATOM 422 O THR A 28 -13.034 2.058 -3.702 1.00 0.00 O ATOM 423 CB THR A 28 -15.252 -0.030 -4.618 1.00 0.00 C ATOM 424 OG1 THR A 28 -15.534 0.602 -5.858 1.00 0.00 O ATOM 425 CG2 THR A 28 -15.863 0.787 -3.478 1.00 0.00 C ATOM 0 H THR A 28 -13.808 -0.068 -2.327 1.00 0.00 H new ATOM 0 HA THR A 28 -13.322 -0.821 -5.156 1.00 0.00 H new ATOM 0 HB THR A 28 -15.680 -1.032 -4.614 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.504 0.661 -5.982 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.942 0.852 -3.615 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.647 0.302 -2.526 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.436 1.790 -3.480 1.00 0.00 H new ATOM 433 N PRO A 29 -12.676 1.585 -5.871 1.00 0.00 N ATOM 434 CA PRO A 29 -12.747 0.679 -7.041 1.00 0.00 C ATOM 435 C PRO A 29 -11.608 -0.337 -7.065 1.00 0.00 C ATOM 436 O PRO A 29 -10.710 -0.306 -6.224 1.00 0.00 O ATOM 437 CB PRO A 29 -12.633 1.648 -8.209 1.00 0.00 C ATOM 438 CG PRO A 29 -11.928 2.896 -7.687 1.00 0.00 C ATOM 439 CD PRO A 29 -12.068 2.899 -6.161 1.00 0.00 C ATOM 0 HA PRO A 29 -13.652 0.072 -7.048 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -12.069 1.201 -9.027 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.619 1.898 -8.600 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.877 2.892 -7.976 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -12.372 3.795 -8.115 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -11.102 3.012 -5.669 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.699 3.719 -5.817 1.00 0.00 H new ATOM 447 N VAL A 30 -11.659 -1.240 -8.040 1.00 0.00 N ATOM 448 CA VAL A 30 -10.628 -2.266 -8.169 1.00 0.00 C ATOM 449 C VAL A 30 -9.280 -1.628 -8.511 1.00 0.00 C ATOM 450 O VAL A 30 -9.119 -1.005 -9.561 1.00 0.00 O ATOM 451 CB VAL A 30 -11.022 -3.281 -9.256 1.00 0.00 C ATOM 452 CG1 VAL A 30 -11.142 -2.579 -10.613 1.00 0.00 C ATOM 453 CG2 VAL A 30 -9.964 -4.388 -9.346 1.00 0.00 C ATOM 0 H VAL A 30 -12.394 -1.283 -8.745 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.536 -2.787 -7.216 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.984 -3.720 -8.992 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.421 -3.306 -11.375 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.905 -1.803 -10.555 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.185 -2.128 -10.875 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.250 -5.103 -10.118 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.999 -3.949 -9.598 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.891 -4.900 -8.387 1.00 0.00 H new ATOM 463 N GLY A 31 -8.316 -1.795 -7.611 1.00 0.00 N ATOM 464 CA GLY A 31 -6.983 -1.237 -7.821 1.00 0.00 C ATOM 465 C GLY A 31 -5.957 -2.351 -7.996 1.00 0.00 C ATOM 466 O GLY A 31 -6.185 -3.313 -8.730 1.00 0.00 O ATOM 0 H GLY A 31 -8.430 -2.307 -6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.986 -0.596 -8.703 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.707 -0.611 -6.973 1.00 0.00 H new ATOM 470 N ILE A 32 -4.826 -2.214 -7.310 1.00 0.00 N ATOM 471 CA ILE A 32 -3.772 -3.221 -7.395 1.00 0.00 C ATOM 472 C ILE A 32 -4.191 -4.488 -6.633 1.00 0.00 C ATOM 473 O ILE A 32 -4.778 -4.394 -5.556 1.00 0.00 O ATOM 474 CB ILE A 32 -2.470 -2.682 -6.797 1.00 0.00 C ATOM 475 CG1 ILE A 32 -2.117 -1.349 -7.466 1.00 0.00 C ATOM 476 CG2 ILE A 32 -1.338 -3.685 -7.037 1.00 0.00 C ATOM 477 CD1 ILE A 32 -0.959 -0.683 -6.716 1.00 0.00 C ATOM 0 H ILE A 32 -4.617 -1.426 -6.696 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.612 -3.463 -8.446 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.600 -2.532 -5.725 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.840 -1.516 -8.507 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.986 -0.692 -7.469 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.413 -3.298 -6.610 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.587 -4.635 -6.564 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.208 -3.837 -8.108 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.712 0.264 -7.195 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.252 -0.501 -5.682 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.088 -1.338 -6.736 1.00 0.00 H new ATOM 489 N PRO A 33 -3.908 -5.688 -7.174 1.00 0.00 N ATOM 490 CA PRO A 33 -4.283 -6.947 -6.504 1.00 0.00 C ATOM 491 C PRO A 33 -3.280 -7.371 -5.433 1.00 0.00 C ATOM 492 O PRO A 33 -2.154 -6.877 -5.383 1.00 0.00 O ATOM 493 CB PRO A 33 -4.288 -7.940 -7.660 1.00 0.00 C ATOM 494 CG PRO A 33 -3.375 -7.375 -8.742 1.00 0.00 C ATOM 495 CD PRO A 33 -3.205 -5.877 -8.466 1.00 0.00 C ATOM 0 HA PRO A 33 -5.230 -6.868 -5.970 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.935 -8.917 -7.330 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.299 -8.079 -8.043 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.409 -7.879 -8.730 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.806 -7.536 -9.730 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.154 -5.597 -8.397 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.645 -5.269 -9.257 1.00 0.00 H new ATOM 503 N ALA A 34 -3.709 -8.296 -4.578 1.00 0.00 N ATOM 504 CA ALA A 34 -2.850 -8.792 -3.504 1.00 0.00 C ATOM 505 C ALA A 34 -1.662 -9.572 -4.070 1.00 0.00 C ATOM 506 O ALA A 34 -0.616 -9.684 -3.432 1.00 0.00 O ATOM 507 CB ALA A 34 -3.642 -9.709 -2.569 1.00 0.00 C ATOM 0 H ALA A 34 -4.639 -8.715 -4.606 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.482 -7.928 -2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.989 -10.070 -1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.472 -9.154 -2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.030 -10.557 -3.134 1.00 0.00 H new ATOM 513 N GLU A 35 -1.833 -10.117 -5.272 1.00 0.00 N ATOM 514 CA GLU A 35 -0.765 -10.887 -5.905 1.00 0.00 C ATOM 515 C GLU A 35 0.502 -10.044 -6.088 1.00 0.00 C ATOM 516 O GLU A 35 1.593 -10.584 -6.271 1.00 0.00 O ATOM 517 CB GLU A 35 -1.219 -11.401 -7.274 1.00 0.00 C ATOM 518 CG GLU A 35 -1.666 -10.223 -8.143 1.00 0.00 C ATOM 519 CD GLU A 35 -2.816 -10.660 -9.044 1.00 0.00 C ATOM 520 OE1 GLU A 35 -3.753 -11.249 -8.532 1.00 0.00 O ATOM 521 OE2 GLU A 35 -2.743 -10.399 -10.234 1.00 0.00 O ATOM 0 H GLU A 35 -2.689 -10.042 -5.821 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.537 -11.726 -5.248 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.404 -11.936 -7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.039 -12.109 -7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.980 -9.391 -7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.832 -9.867 -8.748 1.00 0.00 H new ATOM 528 N ASP A 36 0.354 -8.718 -6.053 1.00 0.00 N ATOM 529 CA ASP A 36 1.506 -7.836 -6.232 1.00 0.00 C ATOM 530 C ASP A 36 1.907 -7.166 -4.919 1.00 0.00 C ATOM 531 O ASP A 36 2.297 -5.999 -4.892 1.00 0.00 O ATOM 532 CB ASP A 36 1.194 -6.758 -7.272 1.00 0.00 C ATOM 533 CG ASP A 36 0.949 -7.413 -8.627 1.00 0.00 C ATOM 534 OD1 ASP A 36 1.820 -8.137 -9.079 1.00 0.00 O ATOM 535 OD2 ASP A 36 -0.106 -7.180 -9.194 1.00 0.00 O ATOM 0 H ASP A 36 -0.535 -8.240 -5.905 1.00 0.00 H new ATOM 0 HA ASP A 36 2.337 -8.451 -6.576 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.316 -6.188 -6.968 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.023 -6.054 -7.341 1.00 0.00 H new ATOM 540 N ILE A 37 1.827 -7.922 -3.830 1.00 0.00 N ATOM 541 CA ILE A 37 2.204 -7.397 -2.521 1.00 0.00 C ATOM 542 C ILE A 37 3.730 -7.516 -2.307 1.00 0.00 C ATOM 543 O ILE A 37 4.363 -6.552 -1.875 1.00 0.00 O ATOM 544 CB ILE A 37 1.438 -8.133 -1.406 1.00 0.00 C ATOM 545 CG1 ILE A 37 -0.044 -7.762 -1.497 1.00 0.00 C ATOM 546 CG2 ILE A 37 1.959 -7.728 -0.019 1.00 0.00 C ATOM 547 CD1 ILE A 37 -0.886 -8.852 -0.832 1.00 0.00 C ATOM 0 H ILE A 37 1.508 -8.891 -3.825 1.00 0.00 H new ATOM 0 HA ILE A 37 1.936 -6.341 -2.482 1.00 0.00 H new ATOM 0 HB ILE A 37 1.582 -9.206 -1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.220 -6.803 -1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.337 -7.647 -2.540 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.401 -8.262 0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.017 -7.979 0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.830 -6.655 0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.941 -8.587 -0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.718 -9.802 -1.340 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.599 -8.945 0.216 1.00 0.00 H new ATOM 559 N PRO A 38 4.349 -8.679 -2.599 1.00 0.00 N ATOM 560 CA PRO A 38 5.805 -8.839 -2.413 1.00 0.00 C ATOM 561 C PRO A 38 6.622 -8.197 -3.537 1.00 0.00 C ATOM 562 O PRO A 38 7.812 -7.928 -3.380 1.00 0.00 O ATOM 563 CB PRO A 38 5.976 -10.352 -2.416 1.00 0.00 C ATOM 564 CG PRO A 38 4.787 -10.933 -3.169 1.00 0.00 C ATOM 565 CD PRO A 38 3.669 -9.887 -3.127 1.00 0.00 C ATOM 0 HA PRO A 38 6.162 -8.349 -1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.912 -10.633 -2.898 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.013 -10.738 -1.397 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.059 -11.164 -4.199 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.459 -11.865 -2.709 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.246 -9.710 -4.116 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.849 -10.201 -2.481 1.00 0.00 H new ATOM 573 N ARG A 39 5.971 -7.953 -4.673 1.00 0.00 N ATOM 574 CA ARG A 39 6.648 -7.341 -5.812 1.00 0.00 C ATOM 575 C ARG A 39 6.679 -5.816 -5.677 1.00 0.00 C ATOM 576 O ARG A 39 7.498 -5.145 -6.306 1.00 0.00 O ATOM 577 CB ARG A 39 5.938 -7.708 -7.116 1.00 0.00 C ATOM 578 CG ARG A 39 6.491 -9.034 -7.643 1.00 0.00 C ATOM 579 CD ARG A 39 6.393 -9.058 -9.169 1.00 0.00 C ATOM 580 NE ARG A 39 6.631 -10.406 -9.680 1.00 0.00 N ATOM 581 CZ ARG A 39 6.529 -10.672 -10.979 1.00 0.00 C ATOM 582 NH1 ARG A 39 7.170 -9.940 -11.848 1.00 0.00 N ATOM 583 NH2 ARG A 39 5.789 -11.667 -11.384 1.00 0.00 N ATOM 0 H ARG A 39 4.986 -8.167 -4.828 1.00 0.00 H new ATOM 0 HA ARG A 39 7.670 -7.720 -5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.864 -7.791 -6.947 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.084 -6.921 -7.856 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.529 -9.156 -7.333 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.931 -9.868 -7.219 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.407 -8.714 -9.481 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.121 -8.368 -9.596 1.00 0.00 H new ATOM 0 HE ARG A 39 6.879 -11.153 -9.031 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.750 -9.163 -11.531 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.091 -10.145 -12.844 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.289 -12.240 -10.705 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.710 -11.872 -12.380 1.00 0.00 H new ATOM 597 N LEU A 40 5.777 -5.271 -4.857 1.00 0.00 N ATOM 598 CA LEU A 40 5.716 -3.824 -4.662 1.00 0.00 C ATOM 599 C LEU A 40 6.469 -3.411 -3.397 1.00 0.00 C ATOM 600 O LEU A 40 6.107 -2.441 -2.732 1.00 0.00 O ATOM 601 CB LEU A 40 4.260 -3.365 -4.545 1.00 0.00 C ATOM 602 CG LEU A 40 3.732 -2.969 -5.926 1.00 0.00 C ATOM 603 CD1 LEU A 40 3.709 -4.196 -6.849 1.00 0.00 C ATOM 604 CD2 LEU A 40 2.315 -2.408 -5.779 1.00 0.00 C ATOM 0 H LEU A 40 5.088 -5.803 -4.325 1.00 0.00 H new ATOM 0 HA LEU A 40 6.184 -3.352 -5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.649 -4.165 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.189 -2.519 -3.861 1.00 0.00 H new ATOM 0 HG LEU A 40 4.384 -2.212 -6.361 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.332 -3.906 -7.830 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.719 -4.593 -6.951 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.060 -4.960 -6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.933 -2.124 -6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.666 -3.168 -5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.336 -1.533 -5.130 1.00 0.00 H new ATOM 616 N VAL A 41 7.524 -4.152 -3.073 1.00 0.00 N ATOM 617 CA VAL A 41 8.318 -3.843 -1.886 1.00 0.00 C ATOM 618 C VAL A 41 9.274 -2.690 -2.178 1.00 0.00 C ATOM 619 O VAL A 41 9.861 -2.610 -3.257 1.00 0.00 O ATOM 620 CB VAL A 41 9.122 -5.069 -1.440 1.00 0.00 C ATOM 621 CG1 VAL A 41 9.836 -4.768 -0.119 1.00 0.00 C ATOM 622 CG2 VAL A 41 8.175 -6.254 -1.240 1.00 0.00 C ATOM 0 H VAL A 41 7.847 -4.960 -3.606 1.00 0.00 H new ATOM 0 HA VAL A 41 7.636 -3.556 -1.086 1.00 0.00 H new ATOM 0 HB VAL A 41 9.860 -5.311 -2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.406 -5.643 0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.512 -3.924 -0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.099 -4.523 0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.746 -7.127 -0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.438 -6.006 -0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.666 -6.475 -2.178 1.00 0.00 H new ATOM 632 N SER A 42 9.421 -1.798 -1.200 1.00 0.00 N ATOM 633 CA SER A 42 10.307 -0.642 -1.343 1.00 0.00 C ATOM 634 C SER A 42 9.923 0.192 -2.567 1.00 0.00 C ATOM 635 O SER A 42 10.782 0.668 -3.309 1.00 0.00 O ATOM 636 CB SER A 42 11.767 -1.094 -1.465 1.00 0.00 C ATOM 637 OG SER A 42 12.031 -1.512 -2.800 1.00 0.00 O ATOM 0 H SER A 42 8.940 -1.852 -0.302 1.00 0.00 H new ATOM 0 HA SER A 42 10.198 -0.026 -0.450 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.435 -0.277 -1.191 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.963 -1.912 -0.772 1.00 0.00 H new ATOM 0 HG SER A 42 11.483 -2.296 -3.012 1.00 0.00 H new ATOM 643 N MET A 43 8.619 0.368 -2.764 1.00 0.00 N ATOM 644 CA MET A 43 8.129 1.149 -3.897 1.00 0.00 C ATOM 645 C MET A 43 7.816 2.577 -3.460 1.00 0.00 C ATOM 646 O MET A 43 7.171 2.801 -2.436 1.00 0.00 O ATOM 647 CB MET A 43 6.863 0.517 -4.482 1.00 0.00 C ATOM 648 CG MET A 43 7.199 -0.856 -5.064 1.00 0.00 C ATOM 649 SD MET A 43 8.265 -0.655 -6.514 1.00 0.00 S ATOM 650 CE MET A 43 6.971 -0.173 -7.683 1.00 0.00 C ATOM 0 H MET A 43 7.890 -0.014 -2.162 1.00 0.00 H new ATOM 0 HA MET A 43 8.909 1.162 -4.658 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.102 0.419 -3.708 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.448 1.161 -5.258 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.700 -1.468 -4.314 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.284 -1.378 -5.342 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.125 -0.691 -8.630 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.996 -0.441 -7.277 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.012 0.904 -7.847 1.00 0.00 H new ATOM 660 N GLN A 44 8.285 3.541 -4.247 1.00 0.00 N ATOM 661 CA GLN A 44 8.055 4.948 -3.933 1.00 0.00 C ATOM 662 C GLN A 44 6.792 5.453 -4.623 1.00 0.00 C ATOM 663 O GLN A 44 6.481 5.060 -5.747 1.00 0.00 O ATOM 664 CB GLN A 44 9.243 5.800 -4.385 1.00 0.00 C ATOM 665 CG GLN A 44 10.494 5.386 -3.608 1.00 0.00 C ATOM 666 CD GLN A 44 10.654 6.282 -2.384 1.00 0.00 C ATOM 667 OE1 GLN A 44 9.668 6.677 -1.762 1.00 0.00 O ATOM 668 NE2 GLN A 44 11.851 6.632 -1.998 1.00 0.00 N ATOM 0 H GLN A 44 8.822 3.377 -5.099 1.00 0.00 H new ATOM 0 HA GLN A 44 7.936 5.033 -2.853 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.408 5.674 -5.455 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.031 6.856 -4.218 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.415 4.343 -3.300 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.374 5.464 -4.247 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.669 6.305 -2.513 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.968 7.232 -1.182 1.00 0.00 H new ATOM 677 N VAL A 45 6.072 6.334 -3.935 1.00 0.00 N ATOM 678 CA VAL A 45 4.842 6.898 -4.486 1.00 0.00 C ATOM 679 C VAL A 45 5.038 8.377 -4.804 1.00 0.00 C ATOM 680 O VAL A 45 5.922 9.033 -4.252 1.00 0.00 O ATOM 681 CB VAL A 45 3.692 6.753 -3.488 1.00 0.00 C ATOM 682 CG1 VAL A 45 3.355 5.272 -3.307 1.00 0.00 C ATOM 683 CG2 VAL A 45 4.107 7.349 -2.141 1.00 0.00 C ATOM 0 H VAL A 45 6.315 6.671 -3.003 1.00 0.00 H new ATOM 0 HA VAL A 45 4.599 6.355 -5.399 1.00 0.00 H new ATOM 0 HB VAL A 45 2.816 7.281 -3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.535 5.170 -2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.059 4.846 -4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.230 4.743 -2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.288 7.246 -1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.983 6.822 -1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.346 8.405 -2.268 1.00 0.00 H new ATOM 693 N ASN A 46 4.204 8.897 -5.701 1.00 0.00 N ATOM 694 CA ASN A 46 4.300 10.304 -6.084 1.00 0.00 C ATOM 695 C ASN A 46 3.632 11.195 -5.038 1.00 0.00 C ATOM 696 O ASN A 46 4.029 12.342 -4.836 1.00 0.00 O ATOM 697 CB ASN A 46 3.639 10.543 -7.447 1.00 0.00 C ATOM 698 CG ASN A 46 2.180 10.104 -7.402 1.00 0.00 C ATOM 699 OD1 ASN A 46 1.825 9.052 -7.932 1.00 0.00 O ATOM 700 ND2 ASN A 46 1.304 10.857 -6.799 1.00 0.00 N ATOM 0 H ASN A 46 3.464 8.375 -6.171 1.00 0.00 H new ATOM 0 HA ASN A 46 5.358 10.558 -6.150 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.702 11.599 -7.711 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.171 9.989 -8.221 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.325 10.574 -6.767 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.598 11.729 -6.359 1.00 0.00 H new ATOM 707 N ARG A 47 2.611 10.655 -4.376 1.00 0.00 N ATOM 708 CA ARG A 47 1.894 11.413 -3.354 1.00 0.00 C ATOM 709 C ARG A 47 1.814 10.617 -2.055 1.00 0.00 C ATOM 710 O ARG A 47 2.354 9.515 -1.951 1.00 0.00 O ATOM 711 CB ARG A 47 0.476 11.744 -3.827 1.00 0.00 C ATOM 712 CG ARG A 47 -0.252 10.454 -4.213 1.00 0.00 C ATOM 713 CD ARG A 47 -1.568 10.800 -4.911 1.00 0.00 C ATOM 714 NE ARG A 47 -2.635 10.998 -3.933 1.00 0.00 N ATOM 715 CZ ARG A 47 -3.727 11.692 -4.241 1.00 0.00 C ATOM 716 NH1 ARG A 47 -4.293 11.535 -5.405 1.00 0.00 N ATOM 717 NH2 ARG A 47 -4.231 12.530 -3.377 1.00 0.00 N ATOM 0 H ARG A 47 2.265 9.707 -4.526 1.00 0.00 H new ATOM 0 HA ARG A 47 2.442 12.339 -3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.070 12.259 -3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.515 12.420 -4.681 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.375 9.854 -4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.446 9.854 -3.324 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.442 11.704 -5.507 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.842 10.000 -5.599 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.541 10.598 -2.999 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.898 10.880 -6.080 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.130 12.067 -5.641 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.788 12.652 -2.467 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.068 13.063 -3.612 1.00 0.00 H new ATOM 731 N ALA A 48 1.134 11.188 -1.065 1.00 0.00 N ATOM 732 CA ALA A 48 0.988 10.526 0.228 1.00 0.00 C ATOM 733 C ALA A 48 -0.148 9.509 0.183 1.00 0.00 C ATOM 734 O ALA A 48 -1.219 9.776 -0.362 1.00 0.00 O ATOM 735 CB ALA A 48 0.695 11.551 1.325 1.00 0.00 C ATOM 0 H ALA A 48 0.679 12.099 -1.131 1.00 0.00 H new ATOM 0 HA ALA A 48 1.925 10.014 0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.589 11.040 2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.516 12.265 1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.229 12.079 1.092 1.00 0.00 H new ATOM 741 N VAL A 49 0.100 8.338 0.763 1.00 0.00 N ATOM 742 CA VAL A 49 -0.906 7.279 0.789 1.00 0.00 C ATOM 743 C VAL A 49 -1.253 6.914 2.239 1.00 0.00 C ATOM 744 O VAL A 49 -0.533 6.144 2.872 1.00 0.00 O ATOM 745 CB VAL A 49 -0.385 6.029 0.074 1.00 0.00 C ATOM 746 CG1 VAL A 49 -1.513 5.003 -0.052 1.00 0.00 C ATOM 747 CG2 VAL A 49 0.113 6.409 -1.323 1.00 0.00 C ATOM 0 H VAL A 49 0.981 8.099 1.218 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.797 7.644 0.278 1.00 0.00 H new ATOM 0 HB VAL A 49 0.435 5.600 0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.141 4.114 -0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.869 4.730 0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.334 5.433 -0.626 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.484 5.519 -1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.707 6.840 -1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.918 7.139 -1.236 1.00 0.00 H new ATOM 757 N PRO A 50 -2.356 7.455 2.791 1.00 0.00 N ATOM 758 CA PRO A 50 -2.754 7.153 4.178 1.00 0.00 C ATOM 759 C PRO A 50 -3.470 5.810 4.307 1.00 0.00 C ATOM 760 O PRO A 50 -3.699 5.114 3.318 1.00 0.00 O ATOM 761 CB PRO A 50 -3.694 8.305 4.508 1.00 0.00 C ATOM 762 CG PRO A 50 -4.236 8.832 3.186 1.00 0.00 C ATOM 763 CD PRO A 50 -3.268 8.387 2.086 1.00 0.00 C ATOM 0 HA PRO A 50 -1.899 7.067 4.848 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.507 7.967 5.151 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.166 9.091 5.049 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.236 8.442 2.998 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.317 9.919 3.210 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.790 7.895 1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.728 9.232 1.659 1.00 0.00 H new ATOM 771 N LEU A 51 -3.815 5.456 5.541 1.00 0.00 N ATOM 772 CA LEU A 51 -4.502 4.193 5.798 1.00 0.00 C ATOM 773 C LEU A 51 -5.878 4.187 5.138 1.00 0.00 C ATOM 774 O LEU A 51 -6.513 5.230 4.980 1.00 0.00 O ATOM 775 CB LEU A 51 -4.671 3.972 7.302 1.00 0.00 C ATOM 776 CG LEU A 51 -3.299 3.751 7.943 1.00 0.00 C ATOM 777 CD1 LEU A 51 -2.737 5.090 8.423 1.00 0.00 C ATOM 778 CD2 LEU A 51 -3.442 2.803 9.136 1.00 0.00 C ATOM 0 H LEU A 51 -3.633 6.019 6.372 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.895 3.391 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.161 4.834 7.754 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.312 3.110 7.484 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.621 3.315 7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.760 4.932 8.879 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.636 5.767 7.575 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.414 5.527 9.157 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.466 2.644 9.594 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.120 3.240 9.869 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.843 1.848 8.796 1.00 0.00 H new ATOM 790 N GLY A 52 -6.330 2.996 4.756 1.00 0.00 N ATOM 791 CA GLY A 52 -7.634 2.855 4.113 1.00 0.00 C ATOM 792 C GLY A 52 -7.627 3.490 2.727 1.00 0.00 C ATOM 793 O GLY A 52 -8.640 4.009 2.260 1.00 0.00 O ATOM 0 H GLY A 52 -5.819 2.122 4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.892 1.799 4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.401 3.325 4.729 1.00 0.00 H new ATOM 797 N THR A 53 -6.470 3.441 2.073 1.00 0.00 N ATOM 798 CA THR A 53 -6.337 4.014 0.737 1.00 0.00 C ATOM 799 C THR A 53 -6.007 2.924 -0.278 1.00 0.00 C ATOM 800 O THR A 53 -4.968 2.268 -0.190 1.00 0.00 O ATOM 801 CB THR A 53 -5.229 5.070 0.714 1.00 0.00 C ATOM 802 OG1 THR A 53 -5.439 5.997 1.769 1.00 0.00 O ATOM 803 CG2 THR A 53 -5.250 5.805 -0.627 1.00 0.00 C ATOM 0 H THR A 53 -5.619 3.015 2.441 1.00 0.00 H new ATOM 0 HA THR A 53 -7.286 4.481 0.474 1.00 0.00 H new ATOM 0 HB THR A 53 -4.261 4.585 0.844 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.207 5.578 2.624 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.461 6.557 -0.642 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.088 5.092 -1.435 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.216 6.291 -0.760 1.00 0.00 H new ATOM 811 N THR A 54 -6.904 2.738 -1.242 1.00 0.00 N ATOM 812 CA THR A 54 -6.702 1.724 -2.273 1.00 0.00 C ATOM 813 C THR A 54 -5.447 2.030 -3.083 1.00 0.00 C ATOM 814 O THR A 54 -5.437 2.927 -3.926 1.00 0.00 O ATOM 815 CB THR A 54 -7.906 1.674 -3.218 1.00 0.00 C ATOM 816 OG1 THR A 54 -9.098 1.886 -2.475 1.00 0.00 O ATOM 817 CG2 THR A 54 -7.964 0.307 -3.901 1.00 0.00 C ATOM 0 H THR A 54 -7.770 3.270 -1.331 1.00 0.00 H new ATOM 0 HA THR A 54 -6.589 0.759 -1.778 1.00 0.00 H new ATOM 0 HB THR A 54 -7.807 2.452 -3.975 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.869 1.856 -3.079 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.821 0.272 -4.573 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.049 0.146 -4.471 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.063 -0.473 -3.146 1.00 0.00 H new ATOM 825 N LEU A 55 -4.386 1.272 -2.817 1.00 0.00 N ATOM 826 CA LEU A 55 -3.125 1.467 -3.528 1.00 0.00 C ATOM 827 C LEU A 55 -3.311 1.216 -5.021 1.00 0.00 C ATOM 828 O LEU A 55 -3.614 0.102 -5.445 1.00 0.00 O ATOM 829 CB LEU A 55 -2.056 0.511 -2.993 1.00 0.00 C ATOM 830 CG LEU A 55 -0.669 1.023 -3.384 1.00 0.00 C ATOM 831 CD1 LEU A 55 -0.302 2.221 -2.506 1.00 0.00 C ATOM 832 CD2 LEU A 55 0.360 -0.090 -3.180 1.00 0.00 C ATOM 0 H LEU A 55 -4.373 0.525 -2.122 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.805 2.497 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.134 0.433 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.213 -0.489 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.675 1.327 -4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.687 2.587 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.036 3.015 -2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.295 1.917 -1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.349 0.274 -3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.366 -0.393 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.099 -0.945 -3.803 1.00 0.00 H new ATOM 844 N MET A 56 -3.126 2.268 -5.813 1.00 0.00 N ATOM 845 CA MET A 56 -3.275 2.155 -7.260 1.00 0.00 C ATOM 846 C MET A 56 -1.903 2.036 -7.931 1.00 0.00 C ATOM 847 O MET A 56 -0.887 2.398 -7.338 1.00 0.00 O ATOM 848 CB MET A 56 -4.001 3.380 -7.822 1.00 0.00 C ATOM 849 CG MET A 56 -5.486 3.301 -7.469 1.00 0.00 C ATOM 850 SD MET A 56 -6.446 4.246 -8.678 1.00 0.00 S ATOM 851 CE MET A 56 -7.478 2.880 -9.265 1.00 0.00 C ATOM 0 H MET A 56 -2.875 3.199 -5.482 1.00 0.00 H new ATOM 0 HA MET A 56 -3.861 1.260 -7.469 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.567 4.292 -7.412 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.876 3.425 -8.904 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.814 2.262 -7.461 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.654 3.696 -6.467 1.00 0.00 H new ATOM 0 HE1 MET A 56 -8.161 3.244 -10.033 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.844 2.099 -9.684 1.00 0.00 H new ATOM 0 HE3 MET A 56 -8.052 2.474 -8.432 1.00 0.00 H new ATOM 861 N PRO A 57 -1.850 1.528 -9.174 1.00 0.00 N ATOM 862 CA PRO A 57 -0.574 1.376 -9.898 1.00 0.00 C ATOM 863 C PRO A 57 -0.101 2.682 -10.536 1.00 0.00 C ATOM 864 O PRO A 57 1.095 2.892 -10.738 1.00 0.00 O ATOM 865 CB PRO A 57 -0.925 0.348 -10.966 1.00 0.00 C ATOM 866 CG PRO A 57 -2.433 0.419 -11.178 1.00 0.00 C ATOM 867 CD PRO A 57 -3.040 1.078 -9.936 1.00 0.00 C ATOM 0 HA PRO A 57 0.246 1.081 -9.243 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.395 0.561 -11.894 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.627 -0.652 -10.651 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.668 0.996 -12.072 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.847 -0.578 -11.324 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.688 1.913 -10.200 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.644 0.375 -9.362 1.00 0.00 H new ATOM 875 N ASP A 58 -1.054 3.555 -10.848 1.00 0.00 N ATOM 876 CA ASP A 58 -0.725 4.841 -11.460 1.00 0.00 C ATOM 877 C ASP A 58 0.024 5.726 -10.470 1.00 0.00 C ATOM 878 O ASP A 58 0.960 6.437 -10.836 1.00 0.00 O ATOM 879 CB ASP A 58 -1.998 5.561 -11.910 1.00 0.00 C ATOM 880 CG ASP A 58 -2.965 5.667 -10.736 1.00 0.00 C ATOM 881 OD1 ASP A 58 -2.759 6.531 -9.900 1.00 0.00 O ATOM 882 OD2 ASP A 58 -3.898 4.882 -10.689 1.00 0.00 O ATOM 0 H ASP A 58 -2.050 3.400 -10.690 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.092 4.649 -12.326 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.753 6.555 -12.284 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.465 5.017 -12.731 1.00 0.00 H new ATOM 887 N MET A 59 -0.400 5.676 -9.210 1.00 0.00 N ATOM 888 CA MET A 59 0.237 6.478 -8.169 1.00 0.00 C ATOM 889 C MET A 59 1.637 5.952 -7.870 1.00 0.00 C ATOM 890 O MET A 59 2.542 6.711 -7.525 1.00 0.00 O ATOM 891 CB MET A 59 -0.593 6.444 -6.884 1.00 0.00 C ATOM 892 CG MET A 59 -2.023 6.893 -7.187 1.00 0.00 C ATOM 893 SD MET A 59 -2.803 7.494 -5.668 1.00 0.00 S ATOM 894 CE MET A 59 -2.810 5.918 -4.777 1.00 0.00 C ATOM 0 H MET A 59 -1.174 5.095 -8.887 1.00 0.00 H new ATOM 0 HA MET A 59 0.305 7.504 -8.531 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.598 5.436 -6.468 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.147 7.097 -6.133 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.016 7.680 -7.941 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.597 6.063 -7.599 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.336 6.038 -3.830 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.314 5.162 -5.379 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.784 5.604 -4.585 1.00 0.00 H new ATOM 904 N VAL A 60 1.806 4.641 -8.007 1.00 0.00 N ATOM 905 CA VAL A 60 3.101 4.019 -7.750 1.00 0.00 C ATOM 906 C VAL A 60 4.000 4.144 -8.978 1.00 0.00 C ATOM 907 O VAL A 60 3.936 3.329 -9.898 1.00 0.00 O ATOM 908 CB VAL A 60 2.920 2.540 -7.394 1.00 0.00 C ATOM 909 CG1 VAL A 60 4.271 1.921 -7.024 1.00 0.00 C ATOM 910 CG2 VAL A 60 1.969 2.422 -6.201 1.00 0.00 C ATOM 0 H VAL A 60 1.071 3.994 -8.292 1.00 0.00 H new ATOM 0 HA VAL A 60 3.569 4.533 -6.910 1.00 0.00 H new ATOM 0 HB VAL A 60 2.507 2.012 -8.254 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.133 0.869 -6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.954 2.005 -7.870 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.690 2.447 -6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.837 1.371 -5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.388 2.955 -5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.004 2.856 -6.461 1.00 0.00 H new ATOM 920 N LYS A 61 4.839 5.176 -8.977 1.00 0.00 N ATOM 921 CA LYS A 61 5.753 5.406 -10.094 1.00 0.00 C ATOM 922 C LYS A 61 6.780 4.283 -10.179 1.00 0.00 C ATOM 923 O LYS A 61 7.451 3.959 -9.198 1.00 0.00 O ATOM 924 CB LYS A 61 6.486 6.739 -9.922 1.00 0.00 C ATOM 925 CG LYS A 61 5.467 7.880 -9.879 1.00 0.00 C ATOM 926 CD LYS A 61 5.146 8.332 -11.306 1.00 0.00 C ATOM 927 CE LYS A 61 4.868 9.836 -11.314 1.00 0.00 C ATOM 928 NZ LYS A 61 6.139 10.576 -11.564 1.00 0.00 N ATOM 0 H LYS A 61 4.906 5.861 -8.224 1.00 0.00 H new ATOM 0 HA LYS A 61 5.164 5.432 -11.011 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.074 6.727 -9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.184 6.891 -10.745 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.557 7.551 -9.377 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.864 8.715 -9.302 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.981 8.102 -11.968 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.280 7.789 -11.685 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.137 10.077 -12.085 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.438 10.142 -10.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.950 11.599 -11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.823 10.354 -10.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.531 10.292 -12.484 1.00 0.00 H new ATOM 942 N GLY A 62 6.894 3.689 -11.363 1.00 0.00 N ATOM 943 CA GLY A 62 7.840 2.598 -11.570 1.00 0.00 C ATOM 944 C GLY A 62 7.105 1.268 -11.702 1.00 0.00 C ATOM 945 O GLY A 62 7.553 0.361 -12.405 1.00 0.00 O ATOM 0 H GLY A 62 6.348 3.942 -12.187 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.428 2.785 -12.468 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.539 2.552 -10.735 1.00 0.00 H new ATOM 949 N TYR A 63 5.969 1.165 -11.018 1.00 0.00 N ATOM 950 CA TYR A 63 5.171 -0.056 -11.064 1.00 0.00 C ATOM 951 C TYR A 63 4.558 -0.236 -12.453 1.00 0.00 C ATOM 952 O TYR A 63 4.952 -1.124 -13.209 1.00 0.00 O ATOM 953 CB TYR A 63 4.059 -0.002 -10.006 1.00 0.00 C ATOM 954 CG TYR A 63 3.303 -1.310 -9.985 1.00 0.00 C ATOM 955 CD1 TYR A 63 4.001 -2.533 -9.802 1.00 0.00 C ATOM 956 CD2 TYR A 63 1.893 -1.314 -10.152 1.00 0.00 C ATOM 957 CE1 TYR A 63 3.288 -3.761 -9.785 1.00 0.00 C ATOM 958 CE2 TYR A 63 1.179 -2.541 -10.135 1.00 0.00 C ATOM 959 CZ TYR A 63 1.876 -3.766 -9.952 1.00 0.00 C ATOM 960 OH TYR A 63 1.183 -4.959 -9.936 1.00 0.00 O ATOM 0 H TYR A 63 5.583 1.904 -10.431 1.00 0.00 H new ATOM 0 HA TYR A 63 5.822 -0.905 -10.852 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.489 0.195 -9.024 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.376 0.819 -10.225 1.00 0.00 H new ATOM 0 HD1 TYR A 63 5.074 -2.529 -9.676 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.363 -0.383 -10.292 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.818 -4.691 -9.645 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.106 -2.544 -10.261 1.00 0.00 H new ATOM 0 HH TYR A 63 0.227 -4.784 -10.063 1.00 0.00 H new ATOM 970 N ALA A 64 3.589 0.620 -12.782 1.00 0.00 N ATOM 971 CA ALA A 64 2.926 0.552 -14.085 1.00 0.00 C ATOM 972 C ALA A 64 2.320 -0.830 -14.317 1.00 0.00 C ATOM 973 O ALA A 64 2.938 -1.700 -14.931 1.00 0.00 O ATOM 974 CB ALA A 64 3.923 0.851 -15.206 1.00 0.00 C ATOM 0 H ALA A 64 3.248 1.362 -12.170 1.00 0.00 H new ATOM 0 HA ALA A 64 2.131 1.297 -14.091 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.415 0.797 -16.169 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.335 1.851 -15.069 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.730 0.119 -15.180 1.00 0.00 H new ATOM 980 N ALA A 65 1.099 -1.021 -13.823 1.00 0.00 N ATOM 981 CA ALA A 65 0.413 -2.300 -13.984 1.00 0.00 C ATOM 982 C ALA A 65 -0.985 -2.236 -13.376 1.00 0.00 C ATOM 983 O ALA A 65 -1.522 -3.284 -13.061 1.00 0.00 O ATOM 984 CB ALA A 65 1.206 -3.424 -13.309 1.00 0.00 C ATOM 0 H ALA A 65 0.569 -0.314 -13.313 1.00 0.00 H new ATOM 0 HA ALA A 65 0.333 -2.507 -15.051 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.680 -4.370 -13.439 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.195 -3.494 -13.762 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.308 -3.209 -12.245 1.00 0.00 H new TER 990 ALA A 65