USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 857 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 92 LYS NZ :NH3+ 163:sc= 0.461 (180deg=0) USER MOD Set 1.2: A 94 GLN : amide:sc= 0.452 K(o=0.91,f=-2.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc=-0.000404 USER MOD Single : A 7 ASN :FLIP amide:sc= -0.123 F(o=-0.95,f=-0.12) USER MOD Single : A 11 ASN : amide:sc= -1.56! C(o=-1.6!,f=-7.7!) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.24 F(o=-1.8,f=-0.24) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot -86:sc= 0.951 USER MOD Single : A 18 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.24) USER MOD Single : A 23 LYS NZ :NH3+ -177:sc=0.000393 (180deg=0.000141) USER MOD Single : A 27 GLN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.0513 X(o=-0.051,f=0) USER MOD Single : A 33 TYR OH : rot -165:sc= 1.07 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.934! USER MOD Single : A 63 TYR OH : rot 80:sc= -0.351 USER MOD Single : A 64 GLN : amide:sc= -3.61! C(o=-3.6!,f=-6.4!) USER MOD Single : A 67 MET CE :methyl 156:sc= -0.556 (180deg=-0.858) USER MOD Single : A 73 ASN : amide:sc= -0.0117 X(o=-0.012,f=-0.084) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.169 F(o=-2!,f=-0.17) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -57:sc= 1.08 USER MOD Single : A 100 ASN :FLIP amide:sc= -1.31! C(o=-2!,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.072 -12.150 3.788 1.00 0.00 N ATOM 2 CA MET A 1 -6.941 -12.342 4.744 1.00 0.00 C ATOM 3 C MET A 1 -5.613 -11.987 4.069 1.00 0.00 C ATOM 4 O MET A 1 -4.701 -12.789 4.012 1.00 0.00 O ATOM 5 CB MET A 1 -6.976 -13.826 5.113 1.00 0.00 C ATOM 6 CG MET A 1 -6.058 -14.075 6.310 1.00 0.00 C ATOM 7 SD MET A 1 -5.935 -15.854 6.617 1.00 0.00 S ATOM 8 CE MET A 1 -6.521 -15.826 8.328 1.00 0.00 C ATOM 0 H1 MET A 1 -8.968 -12.394 4.257 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.101 -11.157 3.480 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.936 -12.765 2.961 1.00 0.00 H new ATOM 0 HA MET A 1 -7.032 -11.704 5.623 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.995 -14.128 5.354 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.657 -14.430 4.264 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.069 -13.660 6.116 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.449 -13.569 7.193 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.527 -16.840 8.727 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.859 -15.203 8.929 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.531 -15.417 8.360 1.00 0.00 H new ATOM 20 N ARG A 2 -5.496 -10.793 3.557 1.00 0.00 N ATOM 21 CA ARG A 2 -4.227 -10.391 2.887 1.00 0.00 C ATOM 22 C ARG A 2 -3.929 -8.914 3.162 1.00 0.00 C ATOM 23 O ARG A 2 -4.827 -8.115 3.345 1.00 0.00 O ATOM 24 CB ARG A 2 -4.480 -10.622 1.396 1.00 0.00 C ATOM 25 CG ARG A 2 -3.310 -11.401 0.793 1.00 0.00 C ATOM 26 CD ARG A 2 -3.823 -12.718 0.206 1.00 0.00 C ATOM 27 NE ARG A 2 -2.832 -13.742 0.637 1.00 0.00 N ATOM 28 CZ ARG A 2 -2.541 -14.739 -0.153 1.00 0.00 C ATOM 29 NH1 ARG A 2 -2.107 -14.508 -1.361 1.00 0.00 N ATOM 30 NH2 ARG A 2 -2.685 -15.967 0.266 1.00 0.00 N ATOM 0 H ARG A 2 -6.224 -10.079 3.573 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.369 -10.958 3.248 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.409 -11.174 1.256 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.597 -9.667 0.884 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.826 -10.808 0.017 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.559 -11.599 1.557 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.821 -12.953 0.576 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.890 -12.666 -0.881 1.00 0.00 H new ATOM 0 HE ARG A 2 -2.381 -13.664 1.549 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -1.995 -13.548 -1.688 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.879 -15.287 -1.979 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -3.025 -16.147 1.211 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.458 -16.746 -0.351 1.00 0.00 H new ATOM 44 N ARG A 3 -2.678 -8.544 3.191 1.00 0.00 N ATOM 45 CA ARG A 3 -2.330 -7.119 3.455 1.00 0.00 C ATOM 46 C ARG A 3 -2.206 -6.357 2.130 1.00 0.00 C ATOM 47 O ARG A 3 -1.516 -6.784 1.226 1.00 0.00 O ATOM 48 CB ARG A 3 -0.991 -7.170 4.210 1.00 0.00 C ATOM 49 CG ARG A 3 0.192 -7.161 3.232 1.00 0.00 C ATOM 50 CD ARG A 3 0.246 -8.488 2.471 1.00 0.00 C ATOM 51 NE ARG A 3 1.476 -8.399 1.635 1.00 0.00 N ATOM 52 CZ ARG A 3 2.643 -8.257 2.203 1.00 0.00 C ATOM 53 NH1 ARG A 3 3.258 -9.296 2.699 1.00 0.00 N ATOM 54 NH2 ARG A 3 3.193 -7.076 2.276 1.00 0.00 N ATOM 0 H ARG A 3 -1.883 -9.166 3.044 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.090 -6.598 4.037 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.917 -6.317 4.884 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -0.951 -8.068 4.827 1.00 0.00 H new ATOM 0 HG2 ARG A 3 0.089 -6.333 2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 3 1.124 -7.005 3.776 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.294 -9.335 3.156 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.642 -8.627 1.854 1.00 0.00 H new ATOM 0 HE ARG A 3 1.406 -8.449 0.619 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.827 -10.219 2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 3 4.170 -9.185 3.143 1.00 0.00 H new ATOM 0 HH21 ARG A 3 2.711 -6.264 1.889 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.105 -6.965 2.720 1.00 0.00 H new ATOM 68 N TYR A 4 -2.862 -5.232 2.004 1.00 0.00 N ATOM 69 CA TYR A 4 -2.758 -4.467 0.730 1.00 0.00 C ATOM 70 C TYR A 4 -2.813 -2.975 1.007 1.00 0.00 C ATOM 71 O TYR A 4 -3.123 -2.537 2.093 1.00 0.00 O ATOM 72 CB TYR A 4 -3.920 -4.931 -0.159 1.00 0.00 C ATOM 73 CG TYR A 4 -5.045 -3.917 -0.188 1.00 0.00 C ATOM 74 CD1 TYR A 4 -5.930 -3.818 0.891 1.00 0.00 C ATOM 75 CD2 TYR A 4 -5.200 -3.083 -1.300 1.00 0.00 C ATOM 76 CE1 TYR A 4 -6.972 -2.881 0.858 1.00 0.00 C ATOM 77 CE2 TYR A 4 -6.240 -2.147 -1.334 1.00 0.00 C ATOM 78 CZ TYR A 4 -7.127 -2.046 -0.255 1.00 0.00 C ATOM 79 OH TYR A 4 -8.154 -1.124 -0.288 1.00 0.00 O ATOM 0 H TYR A 4 -3.458 -4.816 2.720 1.00 0.00 H new ATOM 0 HA TYR A 4 -1.809 -4.650 0.226 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -3.557 -5.100 -1.173 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.300 -5.885 0.207 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.810 -4.463 1.749 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.517 -3.161 -2.133 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.655 -2.803 1.691 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -6.358 -1.503 -2.192 1.00 0.00 H new ATOM 0 HH TYR A 4 -8.118 -0.625 -1.131 1.00 0.00 H new ATOM 89 N GLU A 5 -2.490 -2.208 0.022 1.00 0.00 N ATOM 90 CA GLU A 5 -2.483 -0.727 0.191 1.00 0.00 C ATOM 91 C GLU A 5 -3.622 -0.073 -0.596 1.00 0.00 C ATOM 92 O GLU A 5 -3.967 -0.492 -1.683 1.00 0.00 O ATOM 93 CB GLU A 5 -1.129 -0.289 -0.364 1.00 0.00 C ATOM 94 CG GLU A 5 -1.012 -0.726 -1.825 1.00 0.00 C ATOM 95 CD GLU A 5 0.000 -1.868 -1.937 1.00 0.00 C ATOM 96 OE1 GLU A 5 -0.294 -2.944 -1.442 1.00 0.00 O ATOM 97 OE2 GLU A 5 1.051 -1.648 -2.517 1.00 0.00 O ATOM 0 H GLU A 5 -2.226 -2.538 -0.907 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.628 -0.434 1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.025 0.793 -0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.323 -0.729 0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.984 -1.049 -2.198 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.697 0.115 -2.443 1.00 0.00 H new ATOM 104 N VAL A 6 -4.197 0.964 -0.049 1.00 0.00 N ATOM 105 CA VAL A 6 -5.309 1.670 -0.749 1.00 0.00 C ATOM 106 C VAL A 6 -4.770 2.929 -1.435 1.00 0.00 C ATOM 107 O VAL A 6 -4.192 3.790 -0.803 1.00 0.00 O ATOM 108 CB VAL A 6 -6.298 2.042 0.355 1.00 0.00 C ATOM 109 CG1 VAL A 6 -5.679 3.111 1.258 1.00 0.00 C ATOM 110 CG2 VAL A 6 -7.583 2.590 -0.272 1.00 0.00 C ATOM 0 H VAL A 6 -3.943 1.355 0.858 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.775 1.057 -1.520 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.530 1.156 0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.385 3.376 2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.764 2.723 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.446 3.997 0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.288 2.855 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.350 3.475 -0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.027 1.830 -0.915 1.00 0.00 H new ATOM 120 N ASN A 7 -4.944 3.038 -2.724 1.00 0.00 N ATOM 121 CA ASN A 7 -4.430 4.233 -3.446 1.00 0.00 C ATOM 122 C ASN A 7 -5.473 5.353 -3.461 1.00 0.00 C ATOM 123 O ASN A 7 -6.455 5.293 -4.173 1.00 0.00 O ATOM 124 CB ASN A 7 -4.157 3.737 -4.865 1.00 0.00 C ATOM 125 CG ASN A 7 -2.873 4.377 -5.388 1.00 0.00 C ATOM 126 OD1 ASN A 7 -2.474 5.511 -4.881 1.00 0.00 O flip ATOM 127 ND2 ASN A 7 -2.226 3.840 -6.265 1.00 0.00 N flip ATOM 0 H ASN A 7 -5.420 2.350 -3.307 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.541 4.648 -2.971 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.064 2.651 -4.871 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.993 3.988 -5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.540 2.953 -6.660 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.369 4.276 -6.606 1.00 0.00 H new ATOM 134 N ILE A 8 -5.258 6.382 -2.687 1.00 0.00 N ATOM 135 CA ILE A 8 -6.226 7.516 -2.663 1.00 0.00 C ATOM 136 C ILE A 8 -5.503 8.814 -3.033 1.00 0.00 C ATOM 137 O ILE A 8 -4.426 9.095 -2.545 1.00 0.00 O ATOM 138 CB ILE A 8 -6.742 7.577 -1.227 1.00 0.00 C ATOM 139 CG1 ILE A 8 -7.552 6.315 -0.920 1.00 0.00 C ATOM 140 CG2 ILE A 8 -7.636 8.807 -1.056 1.00 0.00 C ATOM 141 CD1 ILE A 8 -8.179 6.435 0.471 1.00 0.00 C ATOM 0 H ILE A 8 -4.453 6.487 -2.070 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.042 7.384 -3.374 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.896 7.643 -0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.330 6.178 -1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.908 5.437 -0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.004 8.850 -0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.061 9.707 -1.273 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.480 8.741 -1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.756 5.536 0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.392 6.551 1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.837 7.304 0.500 1.00 0.00 H new ATOM 153 N VAL A 9 -6.077 9.604 -3.896 1.00 0.00 N ATOM 154 CA VAL A 9 -5.409 10.877 -4.297 1.00 0.00 C ATOM 155 C VAL A 9 -6.260 12.084 -3.893 1.00 0.00 C ATOM 156 O VAL A 9 -7.448 12.130 -4.140 1.00 0.00 O ATOM 157 CB VAL A 9 -5.286 10.790 -5.819 1.00 0.00 C ATOM 158 CG1 VAL A 9 -6.660 10.502 -6.427 1.00 0.00 C ATOM 159 CG2 VAL A 9 -4.756 12.117 -6.363 1.00 0.00 C ATOM 0 H VAL A 9 -6.977 9.426 -4.341 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.441 11.004 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.597 9.987 -6.083 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.572 10.440 -7.512 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.039 9.556 -6.039 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.350 11.304 -6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.668 12.056 -7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.445 12.919 -6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.777 12.323 -5.930 1.00 0.00 H new ATOM 169 N LEU A 10 -5.657 13.063 -3.272 1.00 0.00 N ATOM 170 CA LEU A 10 -6.432 14.270 -2.852 1.00 0.00 C ATOM 171 C LEU A 10 -5.859 15.527 -3.519 1.00 0.00 C ATOM 172 O LEU A 10 -4.703 15.574 -3.889 1.00 0.00 O ATOM 173 CB LEU A 10 -6.262 14.341 -1.333 1.00 0.00 C ATOM 174 CG LEU A 10 -7.350 13.504 -0.657 1.00 0.00 C ATOM 175 CD1 LEU A 10 -6.755 12.766 0.546 1.00 0.00 C ATOM 176 CD2 LEU A 10 -8.480 14.422 -0.184 1.00 0.00 C ATOM 0 H LEU A 10 -4.664 13.080 -3.037 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.481 14.209 -3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.276 13.972 -1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.324 15.376 -0.998 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.744 12.779 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.530 12.170 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.951 12.112 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.360 13.490 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.255 13.826 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.086 15.148 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.905 14.947 -1.040 1.00 0.00 H new ATOM 188 N ASN A 11 -6.663 16.545 -3.677 1.00 0.00 N ATOM 189 CA ASN A 11 -6.169 17.797 -4.323 1.00 0.00 C ATOM 190 C ASN A 11 -5.365 18.633 -3.322 1.00 0.00 C ATOM 191 O ASN A 11 -5.616 18.591 -2.134 1.00 0.00 O ATOM 192 CB ASN A 11 -7.433 18.541 -4.754 1.00 0.00 C ATOM 193 CG ASN A 11 -8.260 17.646 -5.679 1.00 0.00 C ATOM 194 OD1 ASN A 11 -8.135 16.438 -5.645 1.00 0.00 O ATOM 195 ND2 ASN A 11 -9.106 18.190 -6.509 1.00 0.00 N ATOM 0 H ASN A 11 -7.641 16.564 -3.387 1.00 0.00 H new ATOM 0 HA ASN A 11 -5.507 17.594 -5.165 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.020 18.820 -3.879 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.167 19.465 -5.267 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.662 17.601 -7.129 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.211 19.204 -6.538 1.00 0.00 H new ATOM 202 N PRO A 12 -4.415 19.362 -3.845 1.00 0.00 N ATOM 203 CA PRO A 12 -3.550 20.214 -3.003 1.00 0.00 C ATOM 204 C PRO A 12 -4.188 21.588 -2.785 1.00 0.00 C ATOM 205 O PRO A 12 -3.566 22.612 -2.989 1.00 0.00 O ATOM 206 CB PRO A 12 -2.277 20.340 -3.831 1.00 0.00 C ATOM 207 CG PRO A 12 -2.697 20.122 -5.257 1.00 0.00 C ATOM 208 CD PRO A 12 -4.057 19.457 -5.258 1.00 0.00 C ATOM 0 HA PRO A 12 -3.379 19.801 -2.009 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.822 21.322 -3.703 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.535 19.602 -3.524 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.739 21.072 -5.789 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.969 19.498 -5.776 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.787 20.045 -5.814 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.018 18.473 -5.725 1.00 0.00 H new ATOM 216 N ASN A 13 -5.421 21.618 -2.369 1.00 0.00 N ATOM 217 CA ASN A 13 -6.096 22.927 -2.132 1.00 0.00 C ATOM 218 C ASN A 13 -6.273 23.168 -0.631 1.00 0.00 C ATOM 219 O ASN A 13 -5.879 24.191 -0.105 1.00 0.00 O ATOM 220 CB ASN A 13 -7.455 22.809 -2.824 1.00 0.00 C ATOM 221 CG ASN A 13 -8.283 24.068 -2.548 1.00 0.00 C ATOM 222 OD1 ASN A 13 -7.685 25.156 -2.143 1.00 0.00 O flip ATOM 223 ND2 ASN A 13 -9.488 24.061 -2.708 1.00 0.00 N flip ATOM 0 H ASN A 13 -5.993 20.794 -2.182 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.516 23.765 -2.520 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.318 22.680 -3.898 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.984 21.927 -2.462 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.956 23.211 -3.024 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.032 24.905 -2.526 1.00 0.00 H new ATOM 230 N LEU A 14 -6.859 22.233 0.063 1.00 0.00 N ATOM 231 CA LEU A 14 -7.059 22.409 1.530 1.00 0.00 C ATOM 232 C LEU A 14 -5.704 22.441 2.246 1.00 0.00 C ATOM 233 O LEU A 14 -4.736 21.866 1.788 1.00 0.00 O ATOM 234 CB LEU A 14 -7.874 21.188 1.965 1.00 0.00 C ATOM 235 CG LEU A 14 -9.293 21.619 2.355 1.00 0.00 C ATOM 236 CD1 LEU A 14 -9.824 22.643 1.349 1.00 0.00 C ATOM 237 CD2 LEU A 14 -10.210 20.394 2.360 1.00 0.00 C ATOM 0 H LEU A 14 -7.208 21.355 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.566 23.343 1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.916 20.460 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.389 20.698 2.809 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.270 22.070 3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.832 22.944 1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.173 23.517 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.845 22.198 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.220 20.697 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.225 19.947 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.839 19.665 3.081 1.00 0.00 H new ATOM 249 N ASP A 15 -5.626 23.111 3.363 1.00 0.00 N ATOM 250 CA ASP A 15 -4.333 23.182 4.104 1.00 0.00 C ATOM 251 C ASP A 15 -4.126 21.908 4.928 1.00 0.00 C ATOM 252 O ASP A 15 -4.966 21.033 4.958 1.00 0.00 O ATOM 253 CB ASP A 15 -4.468 24.395 5.025 1.00 0.00 C ATOM 254 CG ASP A 15 -5.758 24.275 5.839 1.00 0.00 C ATOM 255 OD1 ASP A 15 -6.794 24.672 5.332 1.00 0.00 O ATOM 256 OD2 ASP A 15 -5.688 23.787 6.955 1.00 0.00 O ATOM 0 H ASP A 15 -6.402 23.613 3.795 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.479 23.272 3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.608 24.456 5.692 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.480 25.312 4.437 1.00 0.00 H new ATOM 261 N GLN A 16 -3.011 21.800 5.598 1.00 0.00 N ATOM 262 CA GLN A 16 -2.751 20.585 6.420 1.00 0.00 C ATOM 263 C GLN A 16 -3.731 20.523 7.594 1.00 0.00 C ATOM 264 O GLN A 16 -4.335 19.503 7.859 1.00 0.00 O ATOM 265 CB GLN A 16 -1.318 20.749 6.926 1.00 0.00 C ATOM 266 CG GLN A 16 -0.420 21.204 5.775 1.00 0.00 C ATOM 267 CD GLN A 16 1.029 20.814 6.071 1.00 0.00 C ATOM 268 OE1 GLN A 16 1.810 21.629 6.519 1.00 0.00 O ATOM 269 NE2 GLN A 16 1.423 19.593 5.836 1.00 0.00 N ATOM 0 H GLN A 16 -2.270 22.500 5.611 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.879 19.665 5.850 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.288 21.479 7.735 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.955 19.806 7.334 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.747 20.746 4.842 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.497 22.283 5.644 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.767 18.909 5.460 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.387 19.322 6.029 1.00 0.00 H new ATOM 278 N SER A 17 -3.890 21.608 8.304 1.00 0.00 N ATOM 279 CA SER A 17 -4.825 21.610 9.459 1.00 0.00 C ATOM 280 C SER A 17 -6.221 21.180 9.008 1.00 0.00 C ATOM 281 O SER A 17 -6.857 20.351 9.629 1.00 0.00 O ATOM 282 CB SER A 17 -4.838 23.056 9.952 1.00 0.00 C ATOM 283 OG SER A 17 -6.062 23.673 9.574 1.00 0.00 O ATOM 0 H SER A 17 -3.411 22.492 8.131 1.00 0.00 H new ATOM 0 HA SER A 17 -4.519 20.916 10.242 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.724 23.083 11.036 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.996 23.604 9.529 1.00 0.00 H new ATOM 0 HG SER A 17 -5.979 24.036 8.667 1.00 0.00 H new ATOM 289 N GLN A 18 -6.701 21.732 7.926 1.00 0.00 N ATOM 290 CA GLN A 18 -8.053 21.346 7.432 1.00 0.00 C ATOM 291 C GLN A 18 -8.015 19.909 6.909 1.00 0.00 C ATOM 292 O GLN A 18 -8.908 19.122 7.151 1.00 0.00 O ATOM 293 CB GLN A 18 -8.362 22.326 6.299 1.00 0.00 C ATOM 294 CG GLN A 18 -8.608 23.720 6.880 1.00 0.00 C ATOM 295 CD GLN A 18 -9.803 23.673 7.833 1.00 0.00 C ATOM 296 OE1 GLN A 18 -9.680 24.007 8.995 1.00 0.00 O ATOM 297 NE2 GLN A 18 -10.962 23.269 7.389 1.00 0.00 N ATOM 0 H GLN A 18 -6.216 22.432 7.364 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.812 21.387 8.213 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.531 22.356 5.594 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.239 21.992 5.744 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.721 24.066 7.410 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.798 24.432 6.077 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.065 22.989 6.414 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.765 23.234 8.017 1.00 0.00 H new ATOM 306 N LEU A 19 -6.976 19.562 6.199 1.00 0.00 N ATOM 307 CA LEU A 19 -6.865 18.176 5.663 1.00 0.00 C ATOM 308 C LEU A 19 -6.642 17.188 6.811 1.00 0.00 C ATOM 309 O LEU A 19 -7.112 16.068 6.782 1.00 0.00 O ATOM 310 CB LEU A 19 -5.648 18.205 4.736 1.00 0.00 C ATOM 311 CG LEU A 19 -5.471 16.833 4.084 1.00 0.00 C ATOM 312 CD1 LEU A 19 -6.013 16.871 2.655 1.00 0.00 C ATOM 313 CD2 LEU A 19 -3.985 16.471 4.056 1.00 0.00 C ATOM 0 H LEU A 19 -6.198 20.180 5.967 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.767 17.860 5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.779 18.969 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.754 18.469 5.300 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.018 16.085 4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.886 15.893 2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.072 17.129 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.468 17.619 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.857 15.493 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.439 17.220 3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.598 16.442 5.075 1.00 0.00 H new ATOM 325 N ALA A 20 -5.922 17.588 7.818 1.00 0.00 N ATOM 326 CA ALA A 20 -5.667 16.673 8.958 1.00 0.00 C ATOM 327 C ALA A 20 -6.982 16.307 9.654 1.00 0.00 C ATOM 328 O ALA A 20 -7.164 15.199 10.109 1.00 0.00 O ATOM 329 CB ALA A 20 -4.764 17.461 9.905 1.00 0.00 C ATOM 0 H ALA A 20 -5.498 18.512 7.900 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.208 15.738 8.638 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.529 16.850 10.777 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.841 17.728 9.390 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.276 18.368 10.225 1.00 0.00 H new ATOM 335 N LEU A 21 -7.891 17.236 9.758 1.00 0.00 N ATOM 336 CA LEU A 21 -9.179 16.947 10.441 1.00 0.00 C ATOM 337 C LEU A 21 -10.044 15.980 9.619 1.00 0.00 C ATOM 338 O LEU A 21 -10.758 15.160 10.163 1.00 0.00 O ATOM 339 CB LEU A 21 -9.856 18.316 10.599 1.00 0.00 C ATOM 340 CG LEU A 21 -10.754 18.623 9.396 1.00 0.00 C ATOM 341 CD1 LEU A 21 -12.111 17.944 9.584 1.00 0.00 C ATOM 342 CD2 LEU A 21 -10.952 20.137 9.288 1.00 0.00 C ATOM 0 H LEU A 21 -7.795 18.185 9.398 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.031 16.455 11.402 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.449 18.330 11.514 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.097 19.092 10.699 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.286 18.248 8.486 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.749 18.163 8.728 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.970 16.866 9.666 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.582 18.318 10.493 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.590 20.360 8.433 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.422 20.508 10.199 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.985 20.622 9.155 1.00 0.00 H new ATOM 354 N GLU A 22 -9.995 16.068 8.318 1.00 0.00 N ATOM 355 CA GLU A 22 -10.828 15.151 7.484 1.00 0.00 C ATOM 356 C GLU A 22 -10.237 13.737 7.486 1.00 0.00 C ATOM 357 O GLU A 22 -10.924 12.769 7.229 1.00 0.00 O ATOM 358 CB GLU A 22 -10.808 15.745 6.073 1.00 0.00 C ATOM 359 CG GLU A 22 -9.364 15.872 5.588 1.00 0.00 C ATOM 360 CD GLU A 22 -9.343 15.959 4.061 1.00 0.00 C ATOM 361 OE1 GLU A 22 -9.389 14.918 3.427 1.00 0.00 O ATOM 362 OE2 GLU A 22 -9.280 17.066 3.550 1.00 0.00 O ATOM 0 H GLU A 22 -9.419 16.730 7.798 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.844 15.067 7.869 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.376 15.110 5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.289 16.723 6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.901 16.760 6.020 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.781 15.014 5.922 1.00 0.00 H new ATOM 369 N LYS A 23 -8.972 13.606 7.784 1.00 0.00 N ATOM 370 CA LYS A 23 -8.351 12.255 7.814 1.00 0.00 C ATOM 371 C LYS A 23 -8.906 11.475 9.007 1.00 0.00 C ATOM 372 O LYS A 23 -9.150 10.288 8.935 1.00 0.00 O ATOM 373 CB LYS A 23 -6.848 12.544 7.956 1.00 0.00 C ATOM 374 CG LYS A 23 -6.211 11.643 9.019 1.00 0.00 C ATOM 375 CD LYS A 23 -6.445 12.275 10.386 1.00 0.00 C ATOM 376 CE LYS A 23 -5.104 12.682 11.004 1.00 0.00 C ATOM 377 NZ LYS A 23 -5.465 13.430 12.240 1.00 0.00 N ATOM 0 H LYS A 23 -8.344 14.378 8.008 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.555 11.648 6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.352 12.388 6.998 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.699 13.590 8.225 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.648 10.645 8.982 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.143 11.530 8.831 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.091 13.148 10.288 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.959 11.570 11.040 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.494 11.809 11.234 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.526 13.304 10.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.600 13.787 12.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.082 14.230 11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.965 12.796 12.896 1.00 0.00 H new ATOM 391 N GLU A 24 -9.095 12.145 10.107 1.00 0.00 N ATOM 392 CA GLU A 24 -9.623 11.458 11.320 1.00 0.00 C ATOM 393 C GLU A 24 -11.052 10.966 11.077 1.00 0.00 C ATOM 394 O GLU A 24 -11.419 9.877 11.472 1.00 0.00 O ATOM 395 CB GLU A 24 -9.602 12.523 12.418 1.00 0.00 C ATOM 396 CG GLU A 24 -9.887 11.866 13.769 1.00 0.00 C ATOM 397 CD GLU A 24 -8.569 11.445 14.421 1.00 0.00 C ATOM 398 OE1 GLU A 24 -7.806 10.748 13.772 1.00 0.00 O ATOM 399 OE2 GLU A 24 -8.344 11.827 15.558 1.00 0.00 O ATOM 0 H GLU A 24 -8.907 13.141 10.221 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.031 10.583 11.587 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.632 13.019 12.440 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.348 13.290 12.210 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.420 12.561 14.418 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.532 10.998 13.634 1.00 0.00 H new ATOM 406 N ILE A 25 -11.864 11.759 10.432 1.00 0.00 N ATOM 407 CA ILE A 25 -13.267 11.335 10.169 1.00 0.00 C ATOM 408 C ILE A 25 -13.290 10.057 9.329 1.00 0.00 C ATOM 409 O ILE A 25 -13.985 9.111 9.642 1.00 0.00 O ATOM 410 CB ILE A 25 -13.884 12.495 9.393 1.00 0.00 C ATOM 411 CG1 ILE A 25 -13.854 13.759 10.254 1.00 0.00 C ATOM 412 CG2 ILE A 25 -15.329 12.153 9.040 1.00 0.00 C ATOM 413 CD1 ILE A 25 -14.340 14.950 9.425 1.00 0.00 C ATOM 0 H ILE A 25 -11.616 12.682 10.076 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.812 11.117 11.087 1.00 0.00 H new ATOM 0 HB ILE A 25 -13.315 12.667 8.479 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -14.488 13.630 11.131 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.842 13.942 10.616 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -15.773 12.979 8.485 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -15.350 11.252 8.427 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -15.897 11.983 9.955 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -14.319 15.852 10.037 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -13.688 15.082 8.561 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -15.359 14.765 9.085 1.00 0.00 H new ATOM 425 N ILE A 26 -12.537 10.020 8.265 1.00 0.00 N ATOM 426 CA ILE A 26 -12.520 8.801 7.408 1.00 0.00 C ATOM 427 C ILE A 26 -12.077 7.590 8.233 1.00 0.00 C ATOM 428 O ILE A 26 -12.577 6.495 8.067 1.00 0.00 O ATOM 429 CB ILE A 26 -11.506 9.104 6.306 1.00 0.00 C ATOM 430 CG1 ILE A 26 -12.050 10.219 5.409 1.00 0.00 C ATOM 431 CG2 ILE A 26 -11.272 7.847 5.467 1.00 0.00 C ATOM 432 CD1 ILE A 26 -10.895 10.868 4.642 1.00 0.00 C ATOM 0 H ILE A 26 -11.933 10.780 7.952 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.502 8.566 6.998 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.565 9.421 6.755 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -12.782 9.813 4.710 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.565 10.966 6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.549 8.064 4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.888 7.051 6.104 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -12.213 7.530 5.017 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.283 11.662 4.003 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -10.179 11.288 5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.399 10.117 4.027 1.00 0.00 H new ATOM 444 N GLN A 27 -11.144 7.780 9.127 1.00 0.00 N ATOM 445 CA GLN A 27 -10.670 6.641 9.965 1.00 0.00 C ATOM 446 C GLN A 27 -11.842 6.033 10.741 1.00 0.00 C ATOM 447 O GLN A 27 -11.942 4.832 10.892 1.00 0.00 O ATOM 448 CB GLN A 27 -9.652 7.255 10.927 1.00 0.00 C ATOM 449 CG GLN A 27 -8.256 6.722 10.601 1.00 0.00 C ATOM 450 CD GLN A 27 -7.208 7.540 11.355 1.00 0.00 C ATOM 451 OE1 GLN A 27 -6.671 7.093 12.349 1.00 0.00 O ATOM 452 NE2 GLN A 27 -6.892 8.731 10.923 1.00 0.00 N ATOM 0 H GLN A 27 -10.690 8.674 9.313 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.235 5.840 9.367 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.667 8.342 10.844 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.915 7.011 11.956 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.182 5.671 10.880 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.075 6.780 9.528 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.342 9.107 10.089 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.195 9.285 11.420 1.00 0.00 H new ATOM 461 N ARG A 28 -12.729 6.853 11.237 1.00 0.00 N ATOM 462 CA ARG A 28 -13.891 6.320 12.003 1.00 0.00 C ATOM 463 C ARG A 28 -14.728 5.389 11.119 1.00 0.00 C ATOM 464 O ARG A 28 -15.201 4.361 11.560 1.00 0.00 O ATOM 465 CB ARG A 28 -14.701 7.554 12.407 1.00 0.00 C ATOM 466 CG ARG A 28 -14.088 8.177 13.663 1.00 0.00 C ATOM 467 CD ARG A 28 -15.113 9.096 14.332 1.00 0.00 C ATOM 468 NE ARG A 28 -14.312 10.210 14.911 1.00 0.00 N ATOM 469 CZ ARG A 28 -14.827 11.406 14.998 1.00 0.00 C ATOM 470 NH1 ARG A 28 -15.328 11.980 13.939 1.00 0.00 N ATOM 471 NH2 ARG A 28 -14.841 12.031 16.145 1.00 0.00 N ATOM 0 H ARG A 28 -12.699 7.868 11.145 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.581 5.737 12.870 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.708 8.280 11.594 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.738 7.276 12.595 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -13.779 7.394 14.356 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.194 8.742 13.402 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -15.841 9.467 13.610 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.671 8.568 15.105 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.362 10.038 15.239 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -15.317 11.494 13.042 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.730 12.915 14.008 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.449 11.584 16.974 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -15.244 12.966 16.212 1.00 0.00 H new ATOM 485 N ALA A 29 -14.921 5.743 9.877 1.00 0.00 N ATOM 486 CA ALA A 29 -15.732 4.882 8.977 1.00 0.00 C ATOM 487 C ALA A 29 -15.006 3.569 8.685 1.00 0.00 C ATOM 488 O ALA A 29 -15.612 2.517 8.640 1.00 0.00 O ATOM 489 CB ALA A 29 -15.912 5.697 7.696 1.00 0.00 C ATOM 0 H ALA A 29 -14.551 6.592 9.449 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.689 4.614 9.425 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.503 5.125 6.981 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -16.426 6.630 7.927 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.935 5.918 7.265 1.00 0.00 H new ATOM 495 N LEU A 30 -13.715 3.609 8.501 1.00 0.00 N ATOM 496 CA LEU A 30 -12.986 2.337 8.234 1.00 0.00 C ATOM 497 C LEU A 30 -13.328 1.382 9.360 1.00 0.00 C ATOM 498 O LEU A 30 -13.512 0.195 9.174 1.00 0.00 O ATOM 499 CB LEU A 30 -11.489 2.687 8.257 1.00 0.00 C ATOM 500 CG LEU A 30 -11.221 4.012 7.524 1.00 0.00 C ATOM 501 CD1 LEU A 30 -9.817 3.982 6.922 1.00 0.00 C ATOM 502 CD2 LEU A 30 -12.246 4.213 6.405 1.00 0.00 C ATOM 0 H LEU A 30 -13.141 4.452 8.523 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.249 1.878 7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.145 2.762 9.289 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.917 1.886 7.788 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.303 4.834 8.235 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.624 4.920 6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.083 3.850 7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.741 3.154 6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.046 5.154 5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.174 3.391 5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.249 4.237 6.831 1.00 0.00 H new ATOM 514 N GLU A 31 -13.439 1.928 10.530 1.00 0.00 N ATOM 515 CA GLU A 31 -13.799 1.116 11.715 1.00 0.00 C ATOM 516 C GLU A 31 -15.255 0.653 11.601 1.00 0.00 C ATOM 517 O GLU A 31 -15.607 -0.429 12.028 1.00 0.00 O ATOM 518 CB GLU A 31 -13.622 2.052 12.910 1.00 0.00 C ATOM 519 CG GLU A 31 -12.131 2.272 13.174 1.00 0.00 C ATOM 520 CD GLU A 31 -11.536 1.021 13.822 1.00 0.00 C ATOM 521 OE1 GLU A 31 -12.130 -0.035 13.680 1.00 0.00 O ATOM 522 OE2 GLU A 31 -10.496 1.140 14.449 1.00 0.00 O ATOM 0 H GLU A 31 -13.293 2.920 10.719 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.183 0.222 11.811 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.111 3.006 12.713 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.099 1.625 13.793 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.614 2.491 12.240 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.990 3.134 13.826 1.00 0.00 H new ATOM 529 N ASN A 32 -16.104 1.469 11.029 1.00 0.00 N ATOM 530 CA ASN A 32 -17.531 1.085 10.891 1.00 0.00 C ATOM 531 C ASN A 32 -17.659 -0.152 10.007 1.00 0.00 C ATOM 532 O ASN A 32 -18.358 -1.093 10.331 1.00 0.00 O ATOM 533 CB ASN A 32 -18.199 2.289 10.227 1.00 0.00 C ATOM 534 CG ASN A 32 -19.719 2.162 10.347 1.00 0.00 C ATOM 535 OD1 ASN A 32 -20.320 2.740 11.231 1.00 0.00 O ATOM 536 ND2 ASN A 32 -20.369 1.426 9.489 1.00 0.00 N ATOM 0 H ASN A 32 -15.864 2.386 10.652 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.989 0.840 11.849 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.862 3.211 10.700 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.910 2.345 9.177 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -21.382 1.335 9.560 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -19.864 0.941 8.747 1.00 0.00 H new ATOM 543 N TYR A 33 -16.996 -0.155 8.886 1.00 0.00 N ATOM 544 CA TYR A 33 -17.071 -1.304 7.975 1.00 0.00 C ATOM 545 C TYR A 33 -16.227 -2.466 8.506 1.00 0.00 C ATOM 546 O TYR A 33 -16.181 -3.531 7.922 1.00 0.00 O ATOM 547 CB TYR A 33 -16.500 -0.750 6.679 1.00 0.00 C ATOM 548 CG TYR A 33 -17.485 -0.978 5.563 1.00 0.00 C ATOM 549 CD1 TYR A 33 -18.657 -0.216 5.516 1.00 0.00 C ATOM 550 CD2 TYR A 33 -17.235 -1.943 4.583 1.00 0.00 C ATOM 551 CE1 TYR A 33 -19.582 -0.418 4.487 1.00 0.00 C ATOM 552 CE2 TYR A 33 -18.161 -2.147 3.553 1.00 0.00 C ATOM 553 CZ TYR A 33 -19.335 -1.384 3.504 1.00 0.00 C ATOM 554 OH TYR A 33 -20.249 -1.583 2.488 1.00 0.00 O ATOM 0 H TYR A 33 -16.399 0.608 8.567 1.00 0.00 H new ATOM 0 HA TYR A 33 -18.078 -1.704 7.857 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -16.294 0.315 6.785 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.553 -1.237 6.448 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -18.848 0.529 6.275 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -16.329 -2.530 4.620 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -20.487 0.171 4.450 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -17.970 -2.893 2.796 1.00 0.00 H new ATOM 0 HH TYR A 33 -20.055 -2.430 2.035 1.00 0.00 H new ATOM 564 N GLY A 34 -15.568 -2.272 9.616 1.00 0.00 N ATOM 565 CA GLY A 34 -14.739 -3.357 10.194 1.00 0.00 C ATOM 566 C GLY A 34 -13.342 -3.353 9.567 1.00 0.00 C ATOM 567 O GLY A 34 -12.655 -4.354 9.564 1.00 0.00 O ATOM 0 H GLY A 34 -15.571 -1.401 10.147 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.660 -3.228 11.273 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.219 -4.321 10.023 1.00 0.00 H new ATOM 571 N ALA A 35 -12.908 -2.236 9.046 1.00 0.00 N ATOM 572 CA ALA A 35 -11.548 -2.185 8.434 1.00 0.00 C ATOM 573 C ALA A 35 -10.583 -1.450 9.368 1.00 0.00 C ATOM 574 O ALA A 35 -10.876 -0.378 9.859 1.00 0.00 O ATOM 575 CB ALA A 35 -11.724 -1.412 7.128 1.00 0.00 C ATOM 0 H ALA A 35 -13.433 -1.362 9.018 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.134 -3.179 8.261 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.763 -1.333 6.620 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.432 -1.937 6.487 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.103 -0.413 7.345 1.00 0.00 H new ATOM 581 N ARG A 36 -9.438 -2.021 9.626 1.00 0.00 N ATOM 582 CA ARG A 36 -8.461 -1.359 10.536 1.00 0.00 C ATOM 583 C ARG A 36 -7.084 -1.280 9.877 1.00 0.00 C ATOM 584 O ARG A 36 -6.641 -2.200 9.218 1.00 0.00 O ATOM 585 CB ARG A 36 -8.386 -2.241 11.774 1.00 0.00 C ATOM 586 CG ARG A 36 -9.766 -2.823 12.099 1.00 0.00 C ATOM 587 CD ARG A 36 -9.985 -2.804 13.614 1.00 0.00 C ATOM 588 NE ARG A 36 -8.808 -3.519 14.182 1.00 0.00 N ATOM 589 CZ ARG A 36 -8.637 -3.573 15.475 1.00 0.00 C ATOM 590 NH1 ARG A 36 -8.308 -2.497 16.137 1.00 0.00 N ATOM 591 NH2 ARG A 36 -8.795 -4.703 16.107 1.00 0.00 N ATOM 0 H ARG A 36 -9.137 -2.918 9.245 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.769 -0.341 10.775 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.673 -3.049 11.610 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.021 -1.660 12.621 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.543 -2.243 11.601 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.840 -3.843 11.723 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.047 -1.783 13.991 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.917 -3.301 13.884 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.135 -3.967 13.560 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.184 -1.613 15.644 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.175 -2.541 17.147 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.052 -5.544 15.591 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.661 -4.745 17.117 1.00 0.00 H new ATOM 605 N VAL A 37 -6.410 -0.187 10.057 1.00 0.00 N ATOM 606 CA VAL A 37 -5.054 -0.028 9.453 1.00 0.00 C ATOM 607 C VAL A 37 -3.995 -0.679 10.349 1.00 0.00 C ATOM 608 O VAL A 37 -3.834 -0.318 11.498 1.00 0.00 O ATOM 609 CB VAL A 37 -4.832 1.481 9.372 1.00 0.00 C ATOM 610 CG1 VAL A 37 -3.483 1.763 8.709 1.00 0.00 C ATOM 611 CG2 VAL A 37 -5.951 2.115 8.543 1.00 0.00 C ATOM 0 H VAL A 37 -6.737 0.613 10.599 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.979 -0.505 8.476 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.838 1.905 10.376 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.324 2.840 8.651 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.686 1.310 9.299 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.476 1.341 7.704 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.795 3.192 8.484 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.944 1.692 7.539 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.913 1.913 9.015 1.00 0.00 H new ATOM 621 N GLU A 38 -3.275 -1.637 9.832 1.00 0.00 N ATOM 622 CA GLU A 38 -2.228 -2.310 10.653 1.00 0.00 C ATOM 623 C GLU A 38 -0.976 -1.434 10.744 1.00 0.00 C ATOM 624 O GLU A 38 -0.172 -1.576 11.644 1.00 0.00 O ATOM 625 CB GLU A 38 -1.918 -3.609 9.909 1.00 0.00 C ATOM 626 CG GLU A 38 -2.435 -4.799 10.718 1.00 0.00 C ATOM 627 CD GLU A 38 -2.634 -6.000 9.792 1.00 0.00 C ATOM 628 OE1 GLU A 38 -2.827 -5.784 8.607 1.00 0.00 O ATOM 629 OE2 GLU A 38 -2.590 -7.115 10.284 1.00 0.00 O ATOM 0 H GLU A 38 -3.366 -1.983 8.877 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.561 -2.492 11.675 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.384 -3.596 8.924 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.843 -3.702 9.752 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.727 -5.049 11.508 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.376 -4.541 11.203 1.00 0.00 H new ATOM 636 N LYS A 39 -0.803 -0.532 9.818 1.00 0.00 N ATOM 637 CA LYS A 39 0.401 0.349 9.854 1.00 0.00 C ATOM 638 C LYS A 39 0.181 1.590 8.983 1.00 0.00 C ATOM 639 O LYS A 39 -0.711 1.633 8.160 1.00 0.00 O ATOM 640 CB LYS A 39 1.533 -0.508 9.289 1.00 0.00 C ATOM 641 CG LYS A 39 2.411 -1.013 10.436 1.00 0.00 C ATOM 642 CD LYS A 39 2.071 -2.475 10.731 1.00 0.00 C ATOM 643 CE LYS A 39 3.310 -3.343 10.500 1.00 0.00 C ATOM 644 NZ LYS A 39 3.531 -4.046 11.794 1.00 0.00 N ATOM 0 H LYS A 39 -1.441 -0.366 9.039 1.00 0.00 H new ATOM 0 HA LYS A 39 0.620 0.706 10.860 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.123 -1.351 8.733 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.131 0.076 8.589 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.464 -0.920 10.171 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.251 -0.404 11.326 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.727 -2.579 11.760 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.256 -2.807 10.088 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.150 -4.052 9.687 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.173 -2.735 10.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.365 -4.662 11.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.687 -3.346 12.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.696 -4.621 12.024 1.00 0.00 H new ATOM 658 N VAL A 40 0.992 2.598 9.157 1.00 0.00 N ATOM 659 CA VAL A 40 0.833 3.835 8.337 1.00 0.00 C ATOM 660 C VAL A 40 2.185 4.255 7.754 1.00 0.00 C ATOM 661 O VAL A 40 3.112 4.566 8.476 1.00 0.00 O ATOM 662 CB VAL A 40 0.313 4.893 9.310 1.00 0.00 C ATOM 663 CG1 VAL A 40 0.414 6.277 8.667 1.00 0.00 C ATOM 664 CG2 VAL A 40 -1.151 4.596 9.647 1.00 0.00 C ATOM 0 H VAL A 40 1.758 2.619 9.831 1.00 0.00 H new ATOM 0 HA VAL A 40 0.155 3.691 7.496 1.00 0.00 H new ATOM 0 HB VAL A 40 0.911 4.873 10.221 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.043 7.029 9.363 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.455 6.490 8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.183 6.299 7.756 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.525 5.349 10.341 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.746 4.617 8.734 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.226 3.610 10.106 1.00 0.00 H new ATOM 674 N GLU A 41 2.308 4.261 6.454 1.00 0.00 N ATOM 675 CA GLU A 41 3.604 4.657 5.833 1.00 0.00 C ATOM 676 C GLU A 41 3.468 6.013 5.139 1.00 0.00 C ATOM 677 O GLU A 41 2.527 6.254 4.410 1.00 0.00 O ATOM 678 CB GLU A 41 3.904 3.560 4.811 1.00 0.00 C ATOM 679 CG GLU A 41 5.096 2.729 5.289 1.00 0.00 C ATOM 680 CD GLU A 41 6.369 3.215 4.595 1.00 0.00 C ATOM 681 OE1 GLU A 41 6.302 4.229 3.920 1.00 0.00 O ATOM 682 OE2 GLU A 41 7.390 2.566 4.752 1.00 0.00 O ATOM 0 H GLU A 41 1.569 4.010 5.797 1.00 0.00 H new ATOM 0 HA GLU A 41 4.400 4.758 6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.031 2.921 4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.122 4.003 3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.203 2.816 6.370 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.929 1.675 5.069 1.00 0.00 H new ATOM 689 N GLU A 42 4.400 6.900 5.352 1.00 0.00 N ATOM 690 CA GLU A 42 4.314 8.231 4.690 1.00 0.00 C ATOM 691 C GLU A 42 5.508 8.431 3.754 1.00 0.00 C ATOM 692 O GLU A 42 6.640 8.536 4.183 1.00 0.00 O ATOM 693 CB GLU A 42 4.351 9.246 5.832 1.00 0.00 C ATOM 694 CG GLU A 42 5.534 8.936 6.752 1.00 0.00 C ATOM 695 CD GLU A 42 6.240 10.238 7.136 1.00 0.00 C ATOM 696 OE1 GLU A 42 6.132 11.192 6.383 1.00 0.00 O ATOM 697 OE2 GLU A 42 6.877 10.258 8.176 1.00 0.00 O ATOM 0 H GLU A 42 5.213 6.762 5.952 1.00 0.00 H new ATOM 0 HA GLU A 42 3.414 8.334 4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.442 10.256 5.432 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.419 9.209 6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.186 8.421 7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.232 8.266 6.250 1.00 0.00 H new ATOM 704 N LEU A 43 5.256 8.493 2.477 1.00 0.00 N ATOM 705 CA LEU A 43 6.369 8.698 1.501 1.00 0.00 C ATOM 706 C LEU A 43 6.546 10.191 1.214 1.00 0.00 C ATOM 707 O LEU A 43 7.588 10.630 0.770 1.00 0.00 O ATOM 708 CB LEU A 43 5.963 7.942 0.227 1.00 0.00 C ATOM 709 CG LEU A 43 4.481 8.173 -0.079 1.00 0.00 C ATOM 710 CD1 LEU A 43 4.280 8.285 -1.590 1.00 0.00 C ATOM 711 CD2 LEU A 43 3.664 6.993 0.454 1.00 0.00 C ATOM 0 H LEU A 43 4.327 8.411 2.064 1.00 0.00 H new ATOM 0 HA LEU A 43 7.319 8.330 1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.571 8.278 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.154 6.876 0.352 1.00 0.00 H new ATOM 0 HG LEU A 43 4.152 9.095 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.224 8.449 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.863 9.122 -1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.609 7.363 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.608 7.154 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.997 6.073 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.805 6.910 1.532 1.00 0.00 H new ATOM 723 N GLY A 44 5.530 10.973 1.461 1.00 0.00 N ATOM 724 CA GLY A 44 5.630 12.436 1.198 1.00 0.00 C ATOM 725 C GLY A 44 4.506 12.856 0.250 1.00 0.00 C ATOM 726 O GLY A 44 4.624 12.748 -0.954 1.00 0.00 O ATOM 0 H GLY A 44 4.634 10.660 1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.559 12.991 2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.599 12.673 0.759 1.00 0.00 H new ATOM 730 N LEU A 45 3.413 13.327 0.785 1.00 0.00 N ATOM 731 CA LEU A 45 2.276 13.747 -0.086 1.00 0.00 C ATOM 732 C LEU A 45 2.692 14.911 -0.993 1.00 0.00 C ATOM 733 O LEU A 45 1.974 15.289 -1.897 1.00 0.00 O ATOM 734 CB LEU A 45 1.177 14.187 0.880 1.00 0.00 C ATOM 735 CG LEU A 45 1.759 15.152 1.914 1.00 0.00 C ATOM 736 CD1 LEU A 45 0.991 16.473 1.865 1.00 0.00 C ATOM 737 CD2 LEU A 45 1.630 14.539 3.310 1.00 0.00 C ATOM 0 H LEU A 45 3.257 13.440 1.787 1.00 0.00 H new ATOM 0 HA LEU A 45 1.946 12.942 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.369 14.670 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.748 13.318 1.379 1.00 0.00 H new ATOM 0 HG LEU A 45 2.810 15.334 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.405 17.162 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.080 16.909 0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.060 16.291 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.044 15.225 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.578 14.358 3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.175 13.596 3.345 1.00 0.00 H new ATOM 749 N ARG A 46 3.842 15.483 -0.760 1.00 0.00 N ATOM 750 CA ARG A 46 4.293 16.619 -1.614 1.00 0.00 C ATOM 751 C ARG A 46 5.209 16.113 -2.731 1.00 0.00 C ATOM 752 O ARG A 46 5.904 16.877 -3.372 1.00 0.00 O ATOM 753 CB ARG A 46 5.060 17.544 -0.671 1.00 0.00 C ATOM 754 CG ARG A 46 5.185 18.930 -1.309 1.00 0.00 C ATOM 755 CD ARG A 46 4.818 20.000 -0.280 1.00 0.00 C ATOM 756 NE ARG A 46 5.405 21.259 -0.813 1.00 0.00 N ATOM 757 CZ ARG A 46 6.557 21.679 -0.368 1.00 0.00 C ATOM 758 NH1 ARG A 46 6.835 21.584 0.904 1.00 0.00 N ATOM 759 NH2 ARG A 46 7.429 22.190 -1.192 1.00 0.00 N ATOM 0 H ARG A 46 4.487 15.214 -0.017 1.00 0.00 H new ATOM 0 HA ARG A 46 3.458 17.128 -2.096 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.542 17.617 0.285 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.049 17.135 -0.467 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.203 19.087 -1.666 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.528 19.004 -2.176 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.737 20.085 -0.166 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.224 19.759 0.703 1.00 0.00 H new ATOM 0 HE ARG A 46 4.907 21.793 -1.525 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.152 21.182 1.547 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.735 21.911 1.255 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.211 22.262 -2.186 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.329 22.518 -0.843 1.00 0.00 H new ATOM 773 N ARG A 47 5.213 14.832 -2.970 1.00 0.00 N ATOM 774 CA ARG A 47 6.082 14.273 -4.047 1.00 0.00 C ATOM 775 C ARG A 47 5.936 12.752 -4.100 1.00 0.00 C ATOM 776 O ARG A 47 5.896 12.086 -3.085 1.00 0.00 O ATOM 777 CB ARG A 47 7.516 14.657 -3.666 1.00 0.00 C ATOM 778 CG ARG A 47 7.707 14.535 -2.151 1.00 0.00 C ATOM 779 CD ARG A 47 9.094 13.958 -1.854 1.00 0.00 C ATOM 780 NE ARG A 47 9.793 15.015 -1.072 1.00 0.00 N ATOM 781 CZ ARG A 47 10.821 15.637 -1.585 1.00 0.00 C ATOM 782 NH1 ARG A 47 11.647 14.999 -2.369 1.00 0.00 N ATOM 783 NH2 ARG A 47 11.024 16.896 -1.311 1.00 0.00 N ATOM 0 H ARG A 47 4.652 14.145 -2.466 1.00 0.00 H new ATOM 0 HA ARG A 47 5.811 14.661 -5.029 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.224 14.010 -4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.725 15.678 -3.986 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.600 15.513 -1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.936 13.892 -1.728 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.022 13.030 -1.287 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.631 13.728 -2.774 1.00 0.00 H new ATOM 0 HE ARG A 47 9.469 15.254 -0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.490 14.014 -2.582 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.449 15.486 -2.769 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.380 17.394 -0.696 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.826 17.382 -1.711 1.00 0.00 H new ATOM 797 N LEU A 48 5.859 12.195 -5.276 1.00 0.00 N ATOM 798 CA LEU A 48 5.720 10.716 -5.388 1.00 0.00 C ATOM 799 C LEU A 48 7.068 10.041 -5.126 1.00 0.00 C ATOM 800 O LEU A 48 8.101 10.499 -5.571 1.00 0.00 O ATOM 801 CB LEU A 48 5.260 10.469 -6.824 1.00 0.00 C ATOM 802 CG LEU A 48 3.733 10.495 -6.878 1.00 0.00 C ATOM 803 CD1 LEU A 48 3.260 11.901 -7.248 1.00 0.00 C ATOM 804 CD2 LEU A 48 3.244 9.498 -7.932 1.00 0.00 C ATOM 0 H LEU A 48 5.886 12.698 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 48 5.016 10.308 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.672 11.231 -7.486 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.631 9.507 -7.176 1.00 0.00 H new ATOM 0 HG LEU A 48 3.330 10.221 -5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.171 11.920 -7.287 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.609 12.611 -6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.663 12.175 -8.223 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.155 9.515 -7.972 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.647 9.772 -8.907 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.581 8.496 -7.669 1.00 0.00 H new ATOM 816 N ALA A 49 7.063 8.955 -4.406 1.00 0.00 N ATOM 817 CA ALA A 49 8.343 8.247 -4.113 1.00 0.00 C ATOM 818 C ALA A 49 8.743 7.377 -5.306 1.00 0.00 C ATOM 819 O ALA A 49 7.904 6.858 -6.015 1.00 0.00 O ATOM 820 CB ALA A 49 8.043 7.379 -2.891 1.00 0.00 C ATOM 0 H ALA A 49 6.228 8.525 -4.007 1.00 0.00 H new ATOM 0 HA ALA A 49 9.168 8.936 -3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.938 6.824 -2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.735 8.014 -2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.242 6.680 -3.129 1.00 0.00 H new ATOM 826 N TYR A 50 10.017 7.212 -5.538 1.00 0.00 N ATOM 827 CA TYR A 50 10.455 6.373 -6.689 1.00 0.00 C ATOM 828 C TYR A 50 9.808 6.881 -7.981 1.00 0.00 C ATOM 829 O TYR A 50 8.917 7.707 -7.946 1.00 0.00 O ATOM 830 CB TYR A 50 9.958 4.965 -6.357 1.00 0.00 C ATOM 831 CG TYR A 50 10.960 4.270 -5.467 1.00 0.00 C ATOM 832 CD1 TYR A 50 10.931 4.482 -4.084 1.00 0.00 C ATOM 833 CD2 TYR A 50 11.916 3.410 -6.024 1.00 0.00 C ATOM 834 CE1 TYR A 50 11.857 3.837 -3.257 1.00 0.00 C ATOM 835 CE2 TYR A 50 12.843 2.766 -5.196 1.00 0.00 C ATOM 836 CZ TYR A 50 12.813 2.978 -3.813 1.00 0.00 C ATOM 837 OH TYR A 50 13.725 2.340 -2.996 1.00 0.00 O ATOM 0 H TYR A 50 10.770 7.620 -4.983 1.00 0.00 H new ATOM 0 HA TYR A 50 11.534 6.400 -6.840 1.00 0.00 H new ATOM 0 HB2 TYR A 50 8.990 5.018 -5.859 1.00 0.00 H new ATOM 0 HB3 TYR A 50 9.814 4.394 -7.274 1.00 0.00 H new ATOM 0 HD1 TYR A 50 10.193 5.144 -3.655 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.938 3.244 -7.091 1.00 0.00 H new ATOM 0 HE1 TYR A 50 11.835 4.002 -2.190 1.00 0.00 H new ATOM 0 HE2 TYR A 50 13.582 2.105 -5.625 1.00 0.00 H new ATOM 0 HH TYR A 50 14.317 1.780 -3.541 1.00 0.00 H new ATOM 847 N PRO A 51 10.276 6.362 -9.083 1.00 0.00 N ATOM 848 CA PRO A 51 9.731 6.761 -10.407 1.00 0.00 C ATOM 849 C PRO A 51 8.274 6.307 -10.538 1.00 0.00 C ATOM 850 O PRO A 51 7.923 5.204 -10.171 1.00 0.00 O ATOM 851 CB PRO A 51 10.638 6.031 -11.400 1.00 0.00 C ATOM 852 CG PRO A 51 11.186 4.876 -10.626 1.00 0.00 C ATOM 853 CD PRO A 51 11.338 5.358 -9.210 1.00 0.00 C ATOM 0 HA PRO A 51 9.723 7.839 -10.569 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.080 5.694 -12.274 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.435 6.681 -11.761 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.514 4.019 -10.676 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.144 4.554 -11.033 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.213 4.547 -8.493 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.323 5.790 -9.035 1.00 0.00 H new ATOM 861 N ILE A 52 7.421 7.153 -11.048 1.00 0.00 N ATOM 862 CA ILE A 52 5.987 6.773 -11.190 1.00 0.00 C ATOM 863 C ILE A 52 5.396 7.389 -12.462 1.00 0.00 C ATOM 864 O ILE A 52 4.453 8.153 -12.412 1.00 0.00 O ATOM 865 CB ILE A 52 5.308 7.351 -9.948 1.00 0.00 C ATOM 866 CG1 ILE A 52 5.826 6.626 -8.702 1.00 0.00 C ATOM 867 CG2 ILE A 52 3.794 7.168 -10.055 1.00 0.00 C ATOM 868 CD1 ILE A 52 5.377 5.163 -8.733 1.00 0.00 C ATOM 0 H ILE A 52 7.655 8.091 -11.373 1.00 0.00 H new ATOM 0 HA ILE A 52 5.849 5.695 -11.270 1.00 0.00 H new ATOM 0 HB ILE A 52 5.536 8.414 -9.873 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.914 6.682 -8.663 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.449 7.113 -7.803 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.314 7.581 -9.168 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.427 7.686 -10.941 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.560 6.106 -10.133 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.747 4.650 -7.845 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.288 5.117 -8.751 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.776 4.679 -9.625 1.00 0.00 H new ATOM 880 N ALA A 53 5.944 7.064 -13.601 1.00 0.00 N ATOM 881 CA ALA A 53 5.413 7.635 -14.872 1.00 0.00 C ATOM 882 C ALA A 53 5.566 9.159 -14.868 1.00 0.00 C ATOM 883 O ALA A 53 6.396 9.706 -14.169 1.00 0.00 O ATOM 884 CB ALA A 53 3.935 7.242 -14.899 1.00 0.00 C ATOM 0 H ALA A 53 6.735 6.429 -13.707 1.00 0.00 H new ATOM 0 HA ALA A 53 5.946 7.264 -15.747 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.473 7.627 -15.808 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.847 6.156 -14.880 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.431 7.662 -14.029 1.00 0.00 H new ATOM 890 N LYS A 54 4.774 9.850 -15.642 1.00 0.00 N ATOM 891 CA LYS A 54 4.882 11.337 -15.679 1.00 0.00 C ATOM 892 C LYS A 54 3.726 11.971 -14.901 1.00 0.00 C ATOM 893 O LYS A 54 3.002 12.802 -15.412 1.00 0.00 O ATOM 894 CB LYS A 54 4.801 11.706 -17.160 1.00 0.00 C ATOM 895 CG LYS A 54 6.201 11.650 -17.774 1.00 0.00 C ATOM 896 CD LYS A 54 6.093 11.350 -19.270 1.00 0.00 C ATOM 897 CE LYS A 54 7.489 11.097 -19.842 1.00 0.00 C ATOM 898 NZ LYS A 54 7.750 12.252 -20.745 1.00 0.00 N ATOM 0 H LYS A 54 4.058 9.451 -16.249 1.00 0.00 H new ATOM 0 HA LYS A 54 5.805 11.695 -15.222 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.135 11.019 -17.682 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.381 12.705 -17.275 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.715 12.598 -17.619 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.795 10.881 -17.280 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.459 10.479 -19.432 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.623 12.187 -19.787 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.236 11.039 -19.050 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.528 10.154 -20.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.691 12.150 -21.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.028 12.278 -21.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.714 13.136 -20.198 1.00 0.00 H new ATOM 912 N ASP A 55 3.552 11.589 -13.667 1.00 0.00 N ATOM 913 CA ASP A 55 2.448 12.171 -12.851 1.00 0.00 C ATOM 914 C ASP A 55 2.984 13.314 -11.983 1.00 0.00 C ATOM 915 O ASP A 55 4.100 13.260 -11.508 1.00 0.00 O ATOM 916 CB ASP A 55 1.956 11.020 -11.971 1.00 0.00 C ATOM 917 CG ASP A 55 0.517 10.664 -12.348 1.00 0.00 C ATOM 918 OD1 ASP A 55 -0.180 11.537 -12.836 1.00 0.00 O ATOM 919 OD2 ASP A 55 0.136 9.523 -12.139 1.00 0.00 O ATOM 0 H ASP A 55 4.127 10.897 -13.186 1.00 0.00 H new ATOM 0 HA ASP A 55 1.650 12.583 -13.468 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.601 10.151 -12.098 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.007 11.305 -10.920 1.00 0.00 H new ATOM 924 N PRO A 56 2.163 14.311 -11.804 1.00 0.00 N ATOM 925 CA PRO A 56 2.558 15.480 -10.981 1.00 0.00 C ATOM 926 C PRO A 56 2.553 15.107 -9.496 1.00 0.00 C ATOM 927 O PRO A 56 2.519 13.946 -9.139 1.00 0.00 O ATOM 928 CB PRO A 56 1.480 16.515 -11.287 1.00 0.00 C ATOM 929 CG PRO A 56 0.289 15.720 -11.722 1.00 0.00 C ATOM 930 CD PRO A 56 0.805 14.445 -12.342 1.00 0.00 C ATOM 0 HA PRO A 56 3.562 15.843 -11.201 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.252 17.118 -10.408 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.803 17.201 -12.070 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.358 15.500 -10.873 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.308 16.283 -12.440 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.183 13.591 -12.073 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.811 14.505 -13.430 1.00 0.00 H new ATOM 938 N GLN A 57 2.587 16.080 -8.629 1.00 0.00 N ATOM 939 CA GLN A 57 2.582 15.774 -7.170 1.00 0.00 C ATOM 940 C GLN A 57 1.186 15.327 -6.729 1.00 0.00 C ATOM 941 O GLN A 57 0.297 15.147 -7.536 1.00 0.00 O ATOM 942 CB GLN A 57 2.971 17.085 -6.484 1.00 0.00 C ATOM 943 CG GLN A 57 1.969 18.180 -6.855 1.00 0.00 C ATOM 944 CD GLN A 57 2.195 19.401 -5.960 1.00 0.00 C ATOM 945 OE1 GLN A 57 3.319 19.729 -5.635 1.00 0.00 O ATOM 946 NE2 GLN A 57 1.169 20.092 -5.547 1.00 0.00 N ATOM 0 H GLN A 57 2.618 17.072 -8.866 1.00 0.00 H new ATOM 0 HA GLN A 57 3.268 14.966 -6.916 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.991 16.949 -5.403 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.976 17.381 -6.787 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.087 18.457 -7.903 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.950 17.811 -6.736 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.226 19.817 -5.820 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.310 20.908 -4.951 1.00 0.00 H new ATOM 955 N GLY A 58 0.988 15.145 -5.452 1.00 0.00 N ATOM 956 CA GLY A 58 -0.349 14.709 -4.961 1.00 0.00 C ATOM 957 C GLY A 58 -0.187 13.968 -3.634 1.00 0.00 C ATOM 958 O GLY A 58 0.913 13.678 -3.206 1.00 0.00 O ATOM 0 H GLY A 58 1.694 15.279 -4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.000 15.573 -4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.825 14.060 -5.696 1.00 0.00 H new ATOM 962 N TYR A 59 -1.272 13.659 -2.979 1.00 0.00 N ATOM 963 CA TYR A 59 -1.176 12.938 -1.679 1.00 0.00 C ATOM 964 C TYR A 59 -1.230 11.424 -1.904 1.00 0.00 C ATOM 965 O TYR A 59 -2.217 10.889 -2.368 1.00 0.00 O ATOM 966 CB TYR A 59 -2.390 13.405 -0.874 1.00 0.00 C ATOM 967 CG TYR A 59 -2.023 13.484 0.588 1.00 0.00 C ATOM 968 CD1 TYR A 59 -1.519 12.355 1.245 1.00 0.00 C ATOM 969 CD2 TYR A 59 -2.183 14.687 1.286 1.00 0.00 C ATOM 970 CE1 TYR A 59 -1.176 12.429 2.601 1.00 0.00 C ATOM 971 CE2 TYR A 59 -1.840 14.760 2.641 1.00 0.00 C ATOM 972 CZ TYR A 59 -1.336 13.632 3.299 1.00 0.00 C ATOM 973 OH TYR A 59 -0.997 13.704 4.634 1.00 0.00 O ATOM 0 H TYR A 59 -2.220 13.874 -3.288 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.240 13.147 -1.162 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.723 14.380 -1.230 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.221 12.714 -1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.395 11.427 0.706 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.571 15.558 0.779 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.788 11.558 3.108 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.964 15.688 3.180 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.168 14.610 4.967 1.00 0.00 H new ATOM 983 N PHE A 60 -0.173 10.733 -1.578 1.00 0.00 N ATOM 984 CA PHE A 60 -0.155 9.255 -1.769 1.00 0.00 C ATOM 985 C PHE A 60 -0.025 8.555 -0.410 1.00 0.00 C ATOM 986 O PHE A 60 0.922 8.770 0.320 1.00 0.00 O ATOM 987 CB PHE A 60 1.077 8.991 -2.636 1.00 0.00 C ATOM 988 CG PHE A 60 1.029 7.585 -3.184 1.00 0.00 C ATOM 989 CD1 PHE A 60 1.042 6.493 -2.309 1.00 0.00 C ATOM 990 CD2 PHE A 60 0.976 7.374 -4.568 1.00 0.00 C ATOM 991 CE1 PHE A 60 1.002 5.189 -2.817 1.00 0.00 C ATOM 992 CE2 PHE A 60 0.936 6.070 -5.076 1.00 0.00 C ATOM 993 CZ PHE A 60 0.948 4.978 -4.201 1.00 0.00 C ATOM 0 H PHE A 60 0.682 11.129 -1.186 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.067 8.878 -2.233 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.116 9.709 -3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.983 9.130 -2.047 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.083 6.656 -1.242 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.966 8.217 -5.243 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.013 4.346 -2.142 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.896 5.907 -6.143 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.916 3.972 -4.593 1.00 0.00 H new ATOM 1003 N LEU A 61 -0.974 7.729 -0.058 1.00 0.00 N ATOM 1004 CA LEU A 61 -0.904 7.029 1.263 1.00 0.00 C ATOM 1005 C LEU A 61 -0.825 5.512 1.063 1.00 0.00 C ATOM 1006 O LEU A 61 -1.388 4.968 0.133 1.00 0.00 O ATOM 1007 CB LEU A 61 -2.198 7.390 2.002 1.00 0.00 C ATOM 1008 CG LEU A 61 -2.677 8.788 1.597 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -3.620 8.674 0.397 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -3.418 9.434 2.770 1.00 0.00 C ATOM 0 H LEU A 61 -1.793 7.508 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.019 7.332 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.970 6.655 1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.031 7.354 3.078 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.819 9.403 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.962 9.668 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.092 8.214 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.479 8.059 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.759 10.428 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.277 8.820 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.746 9.514 3.625 1.00 0.00 H new ATOM 1022 N TRP A 62 -0.133 4.827 1.933 1.00 0.00 N ATOM 1023 CA TRP A 62 -0.018 3.344 1.799 1.00 0.00 C ATOM 1024 C TRP A 62 -0.325 2.670 3.142 1.00 0.00 C ATOM 1025 O TRP A 62 0.362 2.884 4.121 1.00 0.00 O ATOM 1026 CB TRP A 62 1.438 3.099 1.397 1.00 0.00 C ATOM 1027 CG TRP A 62 1.625 1.661 1.030 1.00 0.00 C ATOM 1028 CD1 TRP A 62 1.720 1.187 -0.233 1.00 0.00 C ATOM 1029 CD2 TRP A 62 1.745 0.506 1.911 1.00 0.00 C ATOM 1030 NE1 TRP A 62 1.889 -0.185 -0.184 1.00 0.00 N ATOM 1031 CE2 TRP A 62 1.911 -0.651 1.116 1.00 0.00 C ATOM 1032 CE3 TRP A 62 1.727 0.353 3.309 1.00 0.00 C ATOM 1033 CZ2 TRP A 62 2.053 -1.917 1.687 1.00 0.00 C ATOM 1034 CZ3 TRP A 62 1.869 -0.918 3.887 1.00 0.00 C ATOM 1035 CH2 TRP A 62 2.032 -2.051 3.077 1.00 0.00 C ATOM 0 H TRP A 62 0.358 5.229 2.731 1.00 0.00 H new ATOM 0 HA TRP A 62 -0.718 2.936 1.070 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.705 3.737 0.554 1.00 0.00 H new ATOM 0 HB3 TRP A 62 2.102 3.364 2.220 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.672 1.782 -1.133 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.986 -0.780 -1.007 1.00 0.00 H new ATOM 0 HE3 TRP A 62 1.603 1.219 3.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.178 -2.786 1.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 1.853 -1.024 4.962 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.141 -3.026 3.528 1.00 0.00 H new ATOM 1046 N TYR A 63 -1.354 1.862 3.202 1.00 0.00 N ATOM 1047 CA TYR A 63 -1.696 1.189 4.479 1.00 0.00 C ATOM 1048 C TYR A 63 -1.950 -0.300 4.233 1.00 0.00 C ATOM 1049 O TYR A 63 -2.654 -0.665 3.317 1.00 0.00 O ATOM 1050 CB TYR A 63 -2.982 1.873 4.933 1.00 0.00 C ATOM 1051 CG TYR A 63 -2.750 3.359 5.056 1.00 0.00 C ATOM 1052 CD1 TYR A 63 -1.934 3.855 6.078 1.00 0.00 C ATOM 1053 CD2 TYR A 63 -3.351 4.241 4.149 1.00 0.00 C ATOM 1054 CE1 TYR A 63 -1.716 5.233 6.194 1.00 0.00 C ATOM 1055 CE2 TYR A 63 -3.134 5.619 4.265 1.00 0.00 C ATOM 1056 CZ TYR A 63 -2.316 6.115 5.288 1.00 0.00 C ATOM 1057 OH TYR A 63 -2.102 7.474 5.402 1.00 0.00 O ATOM 0 H TYR A 63 -1.969 1.643 2.418 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.900 1.262 5.220 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.781 1.678 4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.304 1.465 5.891 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.472 3.175 6.778 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.982 3.858 3.360 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.085 5.615 6.983 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.597 6.300 3.566 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.233 7.702 5.011 1.00 0.00 H new ATOM 1067 N GLN A 64 -1.402 -1.164 5.046 1.00 0.00 N ATOM 1068 CA GLN A 64 -1.641 -2.623 4.841 1.00 0.00 C ATOM 1069 C GLN A 64 -2.841 -3.060 5.682 1.00 0.00 C ATOM 1070 O GLN A 64 -2.877 -2.871 6.881 1.00 0.00 O ATOM 1071 CB GLN A 64 -0.359 -3.319 5.302 1.00 0.00 C ATOM 1072 CG GLN A 64 -0.008 -2.886 6.727 1.00 0.00 C ATOM 1073 CD GLN A 64 0.440 -4.109 7.531 1.00 0.00 C ATOM 1074 OE1 GLN A 64 -0.378 -4.828 8.070 1.00 0.00 O ATOM 1075 NE2 GLN A 64 1.712 -4.378 7.632 1.00 0.00 N ATOM 0 H GLN A 64 -0.804 -0.926 5.837 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.865 -2.871 3.804 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.489 -4.400 5.264 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.460 -3.073 4.627 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.785 -2.139 6.707 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.872 -2.421 7.201 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.398 -3.774 7.179 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.020 -5.192 8.164 1.00 0.00 H new ATOM 1084 N VAL A 65 -3.846 -3.600 5.055 1.00 0.00 N ATOM 1085 CA VAL A 65 -5.063 -3.999 5.808 1.00 0.00 C ATOM 1086 C VAL A 65 -5.407 -5.472 5.585 1.00 0.00 C ATOM 1087 O VAL A 65 -4.968 -6.090 4.638 1.00 0.00 O ATOM 1088 CB VAL A 65 -6.139 -3.095 5.225 1.00 0.00 C ATOM 1089 CG1 VAL A 65 -5.637 -1.656 5.262 1.00 0.00 C ATOM 1090 CG2 VAL A 65 -6.398 -3.473 3.767 1.00 0.00 C ATOM 0 H VAL A 65 -3.877 -3.782 4.052 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.945 -3.894 6.887 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.057 -3.203 5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.398 -0.995 4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.430 -1.369 6.293 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.724 -1.574 4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.169 -2.823 3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.479 -3.357 3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.731 -4.510 3.713 1.00 0.00 H new ATOM 1100 N GLU A 66 -6.199 -6.035 6.456 1.00 0.00 N ATOM 1101 CA GLU A 66 -6.579 -7.469 6.305 1.00 0.00 C ATOM 1102 C GLU A 66 -8.037 -7.588 5.850 1.00 0.00 C ATOM 1103 O GLU A 66 -8.939 -7.739 6.649 1.00 0.00 O ATOM 1104 CB GLU A 66 -6.401 -8.078 7.694 1.00 0.00 C ATOM 1105 CG GLU A 66 -6.791 -9.557 7.653 1.00 0.00 C ATOM 1106 CD GLU A 66 -5.535 -10.411 7.471 1.00 0.00 C ATOM 1107 OE1 GLU A 66 -4.502 -9.849 7.145 1.00 0.00 O ATOM 1108 OE2 GLU A 66 -5.626 -11.611 7.664 1.00 0.00 O ATOM 0 H GLU A 66 -6.600 -5.564 7.267 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.971 -7.977 5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.366 -7.972 8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.019 -7.547 8.418 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.302 -9.835 8.575 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.488 -9.738 6.835 1.00 0.00 H new ATOM 1115 N MET A 67 -8.268 -7.525 4.569 1.00 0.00 N ATOM 1116 CA MET A 67 -9.661 -7.634 4.048 1.00 0.00 C ATOM 1117 C MET A 67 -9.677 -8.513 2.794 1.00 0.00 C ATOM 1118 O MET A 67 -8.668 -8.666 2.136 1.00 0.00 O ATOM 1119 CB MET A 67 -10.073 -6.201 3.712 1.00 0.00 C ATOM 1120 CG MET A 67 -10.565 -5.503 4.982 1.00 0.00 C ATOM 1121 SD MET A 67 -9.437 -4.154 5.407 1.00 0.00 S ATOM 1122 CE MET A 67 -10.105 -2.927 4.256 1.00 0.00 C ATOM 0 H MET A 67 -7.549 -7.402 3.856 1.00 0.00 H new ATOM 0 HA MET A 67 -10.343 -8.089 4.766 1.00 0.00 H new ATOM 0 HB2 MET A 67 -9.228 -5.658 3.289 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.860 -6.204 2.958 1.00 0.00 H new ATOM 0 HG2 MET A 67 -11.572 -5.114 4.829 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.620 -6.217 5.804 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.872 -1.925 4.617 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.659 -3.071 3.272 1.00 0.00 H new ATOM 0 HE3 MET A 67 -11.186 -3.045 4.186 1.00 0.00 H new ATOM 1132 N PRO A 68 -10.824 -9.069 2.506 1.00 0.00 N ATOM 1133 CA PRO A 68 -10.958 -9.945 1.319 1.00 0.00 C ATOM 1134 C PRO A 68 -10.833 -9.118 0.035 1.00 0.00 C ATOM 1135 O PRO A 68 -10.840 -7.904 0.065 1.00 0.00 O ATOM 1136 CB PRO A 68 -12.353 -10.545 1.469 1.00 0.00 C ATOM 1137 CG PRO A 68 -13.100 -9.571 2.321 1.00 0.00 C ATOM 1138 CD PRO A 68 -12.087 -8.931 3.238 1.00 0.00 C ATOM 0 HA PRO A 68 -10.186 -10.712 1.255 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.835 -10.673 0.500 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -12.312 -11.529 1.937 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.595 -8.819 1.706 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.877 -10.075 2.895 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.326 -7.885 3.432 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.047 -9.433 4.205 1.00 0.00 H new ATOM 1146 N GLU A 69 -10.699 -9.768 -1.088 1.00 0.00 N ATOM 1147 CA GLU A 69 -10.552 -9.023 -2.372 1.00 0.00 C ATOM 1148 C GLU A 69 -11.876 -8.382 -2.796 1.00 0.00 C ATOM 1149 O GLU A 69 -11.905 -7.497 -3.628 1.00 0.00 O ATOM 1150 CB GLU A 69 -10.126 -10.080 -3.389 1.00 0.00 C ATOM 1151 CG GLU A 69 -11.281 -11.055 -3.627 1.00 0.00 C ATOM 1152 CD GLU A 69 -10.774 -12.491 -3.489 1.00 0.00 C ATOM 1153 OE1 GLU A 69 -10.181 -12.982 -4.435 1.00 0.00 O ATOM 1154 OE2 GLU A 69 -10.986 -13.075 -2.439 1.00 0.00 O ATOM 0 H GLU A 69 -10.685 -10.784 -1.173 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.832 -8.210 -2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.840 -9.603 -4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.251 -10.618 -3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.081 -10.870 -2.910 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.702 -10.901 -4.620 1.00 0.00 H new ATOM 1161 N ASP A 70 -12.973 -8.823 -2.249 1.00 0.00 N ATOM 1162 CA ASP A 70 -14.283 -8.232 -2.652 1.00 0.00 C ATOM 1163 C ASP A 70 -14.599 -6.979 -1.830 1.00 0.00 C ATOM 1164 O ASP A 70 -15.140 -6.017 -2.339 1.00 0.00 O ATOM 1165 CB ASP A 70 -15.313 -9.329 -2.381 1.00 0.00 C ATOM 1166 CG ASP A 70 -15.778 -9.927 -3.709 1.00 0.00 C ATOM 1167 OD1 ASP A 70 -14.925 -10.254 -4.519 1.00 0.00 O ATOM 1168 OD2 ASP A 70 -16.977 -10.046 -3.896 1.00 0.00 O ATOM 0 H ASP A 70 -13.022 -9.561 -1.546 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.281 -7.919 -3.696 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.877 -10.106 -1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.163 -8.918 -1.837 1.00 0.00 H new ATOM 1173 N ARG A 71 -14.272 -6.975 -0.568 1.00 0.00 N ATOM 1174 CA ARG A 71 -14.559 -5.781 0.268 1.00 0.00 C ATOM 1175 C ARG A 71 -13.676 -4.608 -0.156 1.00 0.00 C ATOM 1176 O ARG A 71 -13.860 -3.490 0.284 1.00 0.00 O ATOM 1177 CB ARG A 71 -14.223 -6.203 1.698 1.00 0.00 C ATOM 1178 CG ARG A 71 -15.482 -6.720 2.393 1.00 0.00 C ATOM 1179 CD ARG A 71 -15.673 -5.979 3.718 1.00 0.00 C ATOM 1180 NE ARG A 71 -16.770 -6.708 4.410 1.00 0.00 N ATOM 1181 CZ ARG A 71 -16.611 -7.116 5.640 1.00 0.00 C ATOM 1182 NH1 ARG A 71 -15.817 -8.122 5.896 1.00 0.00 N ATOM 1183 NH2 ARG A 71 -17.244 -6.521 6.613 1.00 0.00 N ATOM 0 H ARG A 71 -13.818 -7.748 -0.081 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.594 -5.455 0.168 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.457 -6.979 1.688 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -13.813 -5.357 2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.351 -6.571 1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.397 -7.792 2.572 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -14.758 -5.987 4.311 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.936 -4.934 3.552 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.648 -6.889 3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -15.322 -8.588 5.135 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -15.692 -8.442 6.857 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -17.864 -5.736 6.413 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -17.119 -6.841 7.574 1.00 0.00 H new ATOM 1197 N VAL A 72 -12.707 -4.853 -0.992 1.00 0.00 N ATOM 1198 CA VAL A 72 -11.806 -3.748 -1.422 1.00 0.00 C ATOM 1199 C VAL A 72 -12.554 -2.746 -2.302 1.00 0.00 C ATOM 1200 O VAL A 72 -12.469 -1.551 -2.102 1.00 0.00 O ATOM 1201 CB VAL A 72 -10.674 -4.435 -2.190 1.00 0.00 C ATOM 1202 CG1 VAL A 72 -11.114 -4.756 -3.621 1.00 0.00 C ATOM 1203 CG2 VAL A 72 -9.468 -3.505 -2.232 1.00 0.00 C ATOM 0 H VAL A 72 -12.500 -5.767 -1.395 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.426 -3.174 -0.577 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.416 -5.366 -1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.297 -5.244 -4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -11.978 -5.420 -3.596 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.381 -3.833 -4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.656 -3.986 -2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.742 -2.577 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.142 -3.286 -1.215 1.00 0.00 H new ATOM 1213 N ASN A 73 -13.290 -3.215 -3.267 1.00 0.00 N ATOM 1214 CA ASN A 73 -14.041 -2.274 -4.142 1.00 0.00 C ATOM 1215 C ASN A 73 -15.119 -1.570 -3.321 1.00 0.00 C ATOM 1216 O ASN A 73 -15.511 -0.457 -3.611 1.00 0.00 O ATOM 1217 CB ASN A 73 -14.673 -3.153 -5.220 1.00 0.00 C ATOM 1218 CG ASN A 73 -15.009 -2.297 -6.441 1.00 0.00 C ATOM 1219 OD1 ASN A 73 -15.668 -1.283 -6.325 1.00 0.00 O ATOM 1220 ND2 ASN A 73 -14.580 -2.664 -7.617 1.00 0.00 N ATOM 0 H ASN A 73 -13.405 -4.204 -3.488 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.405 -1.502 -4.576 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -13.988 -3.953 -5.500 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -15.576 -3.627 -4.835 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -14.798 -2.100 -8.438 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -14.027 -3.515 -7.715 1.00 0.00 H new ATOM 1227 N ASP A 74 -15.595 -2.216 -2.292 1.00 0.00 N ATOM 1228 CA ASP A 74 -16.641 -1.598 -1.442 1.00 0.00 C ATOM 1229 C ASP A 74 -16.110 -0.309 -0.807 1.00 0.00 C ATOM 1230 O ASP A 74 -16.728 0.733 -0.889 1.00 0.00 O ATOM 1231 CB ASP A 74 -16.940 -2.645 -0.369 1.00 0.00 C ATOM 1232 CG ASP A 74 -18.180 -2.225 0.425 1.00 0.00 C ATOM 1233 OD1 ASP A 74 -18.360 -1.035 0.619 1.00 0.00 O ATOM 1234 OD2 ASP A 74 -18.927 -3.103 0.824 1.00 0.00 O ATOM 0 H ASP A 74 -15.300 -3.150 -2.005 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.533 -1.327 -2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -17.104 -3.618 -0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -16.086 -2.750 0.300 1.00 0.00 H new ATOM 1239 N LEU A 75 -14.963 -0.369 -0.184 1.00 0.00 N ATOM 1240 CA LEU A 75 -14.393 0.863 0.442 1.00 0.00 C ATOM 1241 C LEU A 75 -13.934 1.818 -0.653 1.00 0.00 C ATOM 1242 O LEU A 75 -13.968 3.024 -0.507 1.00 0.00 O ATOM 1243 CB LEU A 75 -13.196 0.385 1.268 1.00 0.00 C ATOM 1244 CG LEU A 75 -13.688 -0.202 2.591 1.00 0.00 C ATOM 1245 CD1 LEU A 75 -14.804 -1.205 2.310 1.00 0.00 C ATOM 1246 CD2 LEU A 75 -12.531 -0.910 3.298 1.00 0.00 C ATOM 0 H LEU A 75 -14.398 -1.212 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.119 1.390 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.634 -0.366 0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.517 1.216 1.457 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.065 0.597 3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.159 -1.627 3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.628 -0.701 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.423 -2.004 1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.882 -1.328 4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.153 -1.712 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.732 -0.195 3.494 1.00 0.00 H new ATOM 1258 N ALA A 76 -13.515 1.273 -1.755 1.00 0.00 N ATOM 1259 CA ALA A 76 -13.057 2.121 -2.892 1.00 0.00 C ATOM 1260 C ALA A 76 -14.244 2.902 -3.430 1.00 0.00 C ATOM 1261 O ALA A 76 -14.155 4.063 -3.776 1.00 0.00 O ATOM 1262 CB ALA A 76 -12.537 1.135 -3.937 1.00 0.00 C ATOM 0 H ALA A 76 -13.468 0.268 -1.922 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.288 2.840 -2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.180 1.683 -4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -11.718 0.554 -3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.342 0.463 -4.235 1.00 0.00 H new ATOM 1268 N ARG A 77 -15.359 2.244 -3.492 1.00 0.00 N ATOM 1269 CA ARG A 77 -16.602 2.871 -3.995 1.00 0.00 C ATOM 1270 C ARG A 77 -16.947 4.112 -3.156 1.00 0.00 C ATOM 1271 O ARG A 77 -17.273 5.158 -3.681 1.00 0.00 O ATOM 1272 CB ARG A 77 -17.627 1.739 -3.825 1.00 0.00 C ATOM 1273 CG ARG A 77 -18.910 2.251 -3.163 1.00 0.00 C ATOM 1274 CD ARG A 77 -19.505 3.380 -4.007 1.00 0.00 C ATOM 1275 NE ARG A 77 -20.754 2.817 -4.586 1.00 0.00 N ATOM 1276 CZ ARG A 77 -21.559 3.580 -5.277 1.00 0.00 C ATOM 1277 NH1 ARG A 77 -21.223 4.815 -5.543 1.00 0.00 N ATOM 1278 NH2 ARG A 77 -22.699 3.110 -5.702 1.00 0.00 N ATOM 0 H ARG A 77 -15.463 1.270 -3.207 1.00 0.00 H new ATOM 0 HA ARG A 77 -16.549 3.235 -5.021 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.863 1.309 -4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -17.195 0.941 -3.220 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -19.630 1.439 -3.064 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.694 2.610 -2.157 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -19.715 4.259 -3.397 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.814 3.693 -4.790 1.00 0.00 H new ATOM 0 HE ARG A 77 -20.983 1.833 -4.443 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -20.332 5.184 -5.211 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -21.852 5.410 -6.082 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -22.962 2.147 -5.495 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -23.327 3.706 -6.241 1.00 0.00 H new ATOM 1292 N GLU A 78 -16.886 3.994 -1.859 1.00 0.00 N ATOM 1293 CA GLU A 78 -17.219 5.158 -0.983 1.00 0.00 C ATOM 1294 C GLU A 78 -16.168 6.262 -1.133 1.00 0.00 C ATOM 1295 O GLU A 78 -16.488 7.433 -1.187 1.00 0.00 O ATOM 1296 CB GLU A 78 -17.208 4.601 0.443 1.00 0.00 C ATOM 1297 CG GLU A 78 -17.927 3.249 0.477 1.00 0.00 C ATOM 1298 CD GLU A 78 -18.380 2.944 1.906 1.00 0.00 C ATOM 1299 OE1 GLU A 78 -17.596 2.373 2.646 1.00 0.00 O ATOM 1300 OE2 GLU A 78 -19.504 3.285 2.235 1.00 0.00 O ATOM 0 H GLU A 78 -16.620 3.142 -1.365 1.00 0.00 H new ATOM 0 HA GLU A 78 -18.181 5.601 -1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.181 4.486 0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.697 5.301 1.120 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -18.787 3.266 -0.192 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -17.262 2.463 0.120 1.00 0.00 H new ATOM 1307 N LEU A 79 -14.917 5.901 -1.195 1.00 0.00 N ATOM 1308 CA LEU A 79 -13.849 6.935 -1.333 1.00 0.00 C ATOM 1309 C LEU A 79 -14.088 7.792 -2.579 1.00 0.00 C ATOM 1310 O LEU A 79 -13.984 9.003 -2.540 1.00 0.00 O ATOM 1311 CB LEU A 79 -12.549 6.143 -1.478 1.00 0.00 C ATOM 1312 CG LEU A 79 -12.169 5.532 -0.129 1.00 0.00 C ATOM 1313 CD1 LEU A 79 -10.920 4.667 -0.298 1.00 0.00 C ATOM 1314 CD2 LEU A 79 -11.882 6.652 0.872 1.00 0.00 C ATOM 0 H LEU A 79 -14.586 4.937 -1.156 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.827 7.614 -0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.671 5.357 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.751 6.796 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.990 4.917 0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.647 4.230 0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.123 3.871 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -10.098 5.282 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.611 6.219 1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.059 7.266 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -12.771 7.271 0.990 1.00 0.00 H new ATOM 1326 N ARG A 80 -14.401 7.176 -3.683 1.00 0.00 N ATOM 1327 CA ARG A 80 -14.639 7.954 -4.933 1.00 0.00 C ATOM 1328 C ARG A 80 -15.869 8.851 -4.778 1.00 0.00 C ATOM 1329 O ARG A 80 -16.007 9.854 -5.452 1.00 0.00 O ATOM 1330 CB ARG A 80 -14.877 6.898 -6.013 1.00 0.00 C ATOM 1331 CG ARG A 80 -15.493 7.556 -7.250 1.00 0.00 C ATOM 1332 CD ARG A 80 -14.515 8.586 -7.821 1.00 0.00 C ATOM 1333 NE ARG A 80 -14.626 8.442 -9.299 1.00 0.00 N ATOM 1334 CZ ARG A 80 -15.008 9.457 -10.024 1.00 0.00 C ATOM 1335 NH1 ARG A 80 -15.992 10.213 -9.622 1.00 0.00 N ATOM 1336 NH2 ARG A 80 -14.406 9.716 -11.152 1.00 0.00 N ATOM 0 H ARG A 80 -14.503 6.165 -3.776 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.802 8.609 -5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.936 6.415 -6.277 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.540 6.120 -5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.721 6.800 -8.001 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -16.434 8.039 -6.987 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.774 9.596 -7.502 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.497 8.395 -7.481 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.404 7.551 -9.744 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -16.463 10.011 -8.740 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -16.290 11.006 -10.189 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.637 9.125 -11.467 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.705 10.510 -11.719 1.00 0.00 H new ATOM 1350 N ILE A 81 -16.766 8.495 -3.903 1.00 0.00 N ATOM 1351 CA ILE A 81 -17.992 9.316 -3.712 1.00 0.00 C ATOM 1352 C ILE A 81 -17.675 10.604 -2.944 1.00 0.00 C ATOM 1353 O ILE A 81 -18.370 11.594 -3.069 1.00 0.00 O ATOM 1354 CB ILE A 81 -18.926 8.428 -2.895 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -19.434 7.282 -3.772 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -20.109 9.256 -2.397 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -20.398 7.832 -4.824 1.00 0.00 C ATOM 0 H ILE A 81 -16.702 7.668 -3.310 1.00 0.00 H new ATOM 0 HA ILE A 81 -18.430 9.623 -4.662 1.00 0.00 H new ATOM 0 HB ILE A 81 -18.386 8.019 -2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.596 6.783 -4.258 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -19.937 6.535 -3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -20.777 8.622 -1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.745 10.072 -1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -20.651 9.666 -3.249 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -20.760 7.015 -5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -21.242 8.311 -4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -19.880 8.562 -5.446 1.00 0.00 H new ATOM 1369 N ARG A 82 -16.646 10.604 -2.142 1.00 0.00 N ATOM 1370 CA ARG A 82 -16.316 11.836 -1.367 1.00 0.00 C ATOM 1371 C ARG A 82 -15.905 12.967 -2.296 1.00 0.00 C ATOM 1372 O ARG A 82 -15.432 12.765 -3.397 1.00 0.00 O ATOM 1373 CB ARG A 82 -15.159 11.456 -0.457 1.00 0.00 C ATOM 1374 CG ARG A 82 -14.701 12.662 0.370 1.00 0.00 C ATOM 1375 CD ARG A 82 -14.886 12.356 1.858 1.00 0.00 C ATOM 1376 NE ARG A 82 -15.939 13.304 2.315 1.00 0.00 N ATOM 1377 CZ ARG A 82 -16.887 12.890 3.110 1.00 0.00 C ATOM 1378 NH1 ARG A 82 -17.662 11.904 2.744 1.00 0.00 N ATOM 1379 NH2 ARG A 82 -17.059 13.459 4.271 1.00 0.00 N ATOM 0 H ARG A 82 -16.023 9.811 -1.989 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.178 12.189 -0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.463 10.647 0.208 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.328 11.082 -1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.655 12.885 0.160 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.277 13.546 0.095 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.191 11.321 2.014 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.957 12.501 2.410 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.919 14.276 2.007 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.526 11.458 1.837 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -18.403 11.580 3.365 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -16.452 14.227 4.557 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.800 13.136 4.893 1.00 0.00 H new ATOM 1393 N ASP A 83 -16.096 14.155 -1.834 1.00 0.00 N ATOM 1394 CA ASP A 83 -15.741 15.362 -2.638 1.00 0.00 C ATOM 1395 C ASP A 83 -14.222 15.548 -2.709 1.00 0.00 C ATOM 1396 O ASP A 83 -13.663 15.783 -3.763 1.00 0.00 O ATOM 1397 CB ASP A 83 -16.385 16.529 -1.893 1.00 0.00 C ATOM 1398 CG ASP A 83 -17.239 17.348 -2.862 1.00 0.00 C ATOM 1399 OD1 ASP A 83 -16.673 18.148 -3.587 1.00 0.00 O ATOM 1400 OD2 ASP A 83 -18.445 17.159 -2.863 1.00 0.00 O ATOM 0 H ASP A 83 -16.491 14.357 -0.915 1.00 0.00 H new ATOM 0 HA ASP A 83 -16.090 15.281 -3.668 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -17.002 16.156 -1.075 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -15.615 17.160 -1.449 1.00 0.00 H new ATOM 1405 N ASN A 84 -13.552 15.461 -1.590 1.00 0.00 N ATOM 1406 CA ASN A 84 -12.071 15.652 -1.583 1.00 0.00 C ATOM 1407 C ASN A 84 -11.377 14.542 -2.377 1.00 0.00 C ATOM 1408 O ASN A 84 -10.304 14.733 -2.917 1.00 0.00 O ATOM 1409 CB ASN A 84 -11.672 15.587 -0.107 1.00 0.00 C ATOM 1410 CG ASN A 84 -11.951 16.935 0.560 1.00 0.00 C ATOM 1411 OD1 ASN A 84 -11.140 17.936 0.347 1.00 0.00 O flip ATOM 1412 ND2 ASN A 84 -12.915 17.080 1.285 1.00 0.00 N flip ATOM 0 H ASN A 84 -13.967 15.266 -0.679 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.779 16.594 -2.047 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.231 14.798 0.397 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.615 15.337 -0.016 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.549 16.299 1.452 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.090 17.983 1.726 1.00 0.00 H new ATOM 1419 N VAL A 85 -11.974 13.386 -2.456 1.00 0.00 N ATOM 1420 CA VAL A 85 -11.342 12.273 -3.216 1.00 0.00 C ATOM 1421 C VAL A 85 -11.625 12.435 -4.712 1.00 0.00 C ATOM 1422 O VAL A 85 -12.761 12.552 -5.127 1.00 0.00 O ATOM 1423 CB VAL A 85 -12.004 11.006 -2.678 1.00 0.00 C ATOM 1424 CG1 VAL A 85 -11.646 9.825 -3.576 1.00 0.00 C ATOM 1425 CG2 VAL A 85 -11.506 10.735 -1.256 1.00 0.00 C ATOM 0 H VAL A 85 -12.872 13.164 -2.027 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.259 12.248 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.086 11.138 -2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.118 8.920 -3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.000 10.018 -4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.564 9.692 -3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.978 9.831 -0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.424 10.602 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.761 11.578 -0.614 1.00 0.00 H new ATOM 1435 N ARG A 86 -10.603 12.449 -5.527 1.00 0.00 N ATOM 1436 CA ARG A 86 -10.828 12.610 -6.993 1.00 0.00 C ATOM 1437 C ARG A 86 -10.874 11.242 -7.680 1.00 0.00 C ATOM 1438 O ARG A 86 -11.637 11.028 -8.602 1.00 0.00 O ATOM 1439 CB ARG A 86 -9.631 13.421 -7.491 1.00 0.00 C ATOM 1440 CG ARG A 86 -9.871 13.847 -8.942 1.00 0.00 C ATOM 1441 CD ARG A 86 -8.537 13.884 -9.693 1.00 0.00 C ATOM 1442 NE ARG A 86 -8.196 15.330 -9.802 1.00 0.00 N ATOM 1443 CZ ARG A 86 -8.616 16.026 -10.824 1.00 0.00 C ATOM 1444 NH1 ARG A 86 -8.596 15.505 -12.021 1.00 0.00 N ATOM 1445 NH2 ARG A 86 -9.055 17.242 -10.650 1.00 0.00 N ATOM 0 H ARG A 86 -9.628 12.356 -5.243 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.775 13.103 -7.211 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.486 14.299 -6.862 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.721 12.826 -7.421 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.554 13.151 -9.428 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.343 14.829 -8.970 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.765 13.336 -9.153 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.625 13.424 -10.677 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.634 15.777 -9.078 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.252 14.554 -12.158 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.924 16.049 -12.819 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.070 17.650 -9.715 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.383 17.785 -11.449 1.00 0.00 H new ATOM 1459 N ARG A 87 -10.069 10.313 -7.243 1.00 0.00 N ATOM 1460 CA ARG A 87 -10.078 8.967 -7.880 1.00 0.00 C ATOM 1461 C ARG A 87 -9.645 7.896 -6.877 1.00 0.00 C ATOM 1462 O ARG A 87 -9.035 8.184 -5.867 1.00 0.00 O ATOM 1463 CB ARG A 87 -9.062 9.067 -9.012 1.00 0.00 C ATOM 1464 CG ARG A 87 -9.359 10.302 -9.863 1.00 0.00 C ATOM 1465 CD ARG A 87 -8.454 10.302 -11.096 1.00 0.00 C ATOM 1466 NE ARG A 87 -9.191 11.103 -12.112 1.00 0.00 N ATOM 1467 CZ ARG A 87 -10.058 10.521 -12.895 1.00 0.00 C ATOM 1468 NH1 ARG A 87 -9.774 9.371 -13.442 1.00 0.00 N ATOM 1469 NH2 ARG A 87 -11.209 11.090 -13.129 1.00 0.00 N ATOM 0 H ARG A 87 -9.408 10.427 -6.475 1.00 0.00 H new ATOM 0 HA ARG A 87 -11.070 8.687 -8.234 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.053 9.129 -8.604 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.102 8.170 -9.630 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.406 10.304 -10.167 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.195 11.207 -9.279 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.483 10.744 -10.873 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.269 9.288 -11.450 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.019 12.105 -12.196 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.874 8.927 -13.258 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.452 8.916 -14.054 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.430 11.989 -12.700 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.887 10.636 -13.741 1.00 0.00 H new ATOM 1483 N VAL A 88 -9.955 6.662 -7.155 1.00 0.00 N ATOM 1484 CA VAL A 88 -9.564 5.566 -6.229 1.00 0.00 C ATOM 1485 C VAL A 88 -8.886 4.433 -7.008 1.00 0.00 C ATOM 1486 O VAL A 88 -9.463 3.853 -7.906 1.00 0.00 O ATOM 1487 CB VAL A 88 -10.877 5.083 -5.612 1.00 0.00 C ATOM 1488 CG1 VAL A 88 -11.337 6.076 -4.543 1.00 0.00 C ATOM 1489 CG2 VAL A 88 -11.948 4.975 -6.701 1.00 0.00 C ATOM 0 H VAL A 88 -10.464 6.365 -7.987 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.855 5.898 -5.470 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.722 4.105 -5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.273 5.730 -4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.577 6.151 -3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.489 7.055 -4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -12.883 4.631 -6.259 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.101 5.952 -7.159 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.623 4.265 -7.462 1.00 0.00 H new ATOM 1499 N MET A 89 -7.671 4.106 -6.664 1.00 0.00 N ATOM 1500 CA MET A 89 -6.961 3.003 -7.377 1.00 0.00 C ATOM 1501 C MET A 89 -6.690 1.860 -6.398 1.00 0.00 C ATOM 1502 O MET A 89 -6.007 2.030 -5.407 1.00 0.00 O ATOM 1503 CB MET A 89 -5.649 3.619 -7.866 1.00 0.00 C ATOM 1504 CG MET A 89 -5.638 3.659 -9.396 1.00 0.00 C ATOM 1505 SD MET A 89 -3.970 4.048 -9.977 1.00 0.00 S ATOM 1506 CE MET A 89 -4.016 3.049 -11.486 1.00 0.00 C ATOM 0 H MET A 89 -7.137 4.554 -5.919 1.00 0.00 H new ATOM 0 HA MET A 89 -7.541 2.594 -8.205 1.00 0.00 H new ATOM 0 HB2 MET A 89 -5.537 4.626 -7.465 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.804 3.035 -7.502 1.00 0.00 H new ATOM 0 HG2 MET A 89 -5.960 2.698 -9.798 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.344 4.408 -9.756 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.067 3.143 -12.014 1.00 0.00 H new ATOM 0 HE2 MET A 89 -4.185 2.004 -11.226 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.824 3.398 -12.129 1.00 0.00 H new ATOM 1516 N VAL A 90 -7.228 0.700 -6.654 1.00 0.00 N ATOM 1517 CA VAL A 90 -7.010 -0.439 -5.719 1.00 0.00 C ATOM 1518 C VAL A 90 -5.920 -1.380 -6.238 1.00 0.00 C ATOM 1519 O VAL A 90 -6.025 -1.936 -7.315 1.00 0.00 O ATOM 1520 CB VAL A 90 -8.353 -1.165 -5.670 1.00 0.00 C ATOM 1521 CG1 VAL A 90 -8.632 -1.811 -7.028 1.00 0.00 C ATOM 1522 CG2 VAL A 90 -8.303 -2.250 -4.593 1.00 0.00 C ATOM 0 H VAL A 90 -7.807 0.492 -7.467 1.00 0.00 H new ATOM 0 HA VAL A 90 -6.681 -0.097 -4.738 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.144 -0.453 -5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.590 -2.329 -6.994 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.663 -1.040 -7.798 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.841 -2.524 -7.261 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.260 -2.770 -4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.512 -2.962 -4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.101 -1.792 -3.625 1.00 0.00 H new ATOM 1532 N VAL A 91 -4.882 -1.576 -5.471 1.00 0.00 N ATOM 1533 CA VAL A 91 -3.792 -2.494 -5.905 1.00 0.00 C ATOM 1534 C VAL A 91 -3.489 -3.498 -4.794 1.00 0.00 C ATOM 1535 O VAL A 91 -3.035 -3.141 -3.724 1.00 0.00 O ATOM 1536 CB VAL A 91 -2.578 -1.606 -6.157 1.00 0.00 C ATOM 1537 CG1 VAL A 91 -2.716 -0.920 -7.517 1.00 0.00 C ATOM 1538 CG2 VAL A 91 -2.474 -0.547 -5.056 1.00 0.00 C ATOM 0 H VAL A 91 -4.742 -1.138 -4.560 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.066 -3.059 -6.796 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.677 -2.220 -6.152 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.847 -0.286 -7.695 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.780 -1.675 -8.300 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.619 -0.309 -7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.605 0.085 -5.240 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.375 0.066 -5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.367 -1.037 -4.088 1.00 0.00 H new ATOM 1548 N LYS A 92 -3.737 -4.750 -5.038 1.00 0.00 N ATOM 1549 CA LYS A 92 -3.468 -5.783 -3.998 1.00 0.00 C ATOM 1550 C LYS A 92 -2.011 -6.245 -4.070 1.00 0.00 C ATOM 1551 O LYS A 92 -1.398 -6.238 -5.120 1.00 0.00 O ATOM 1552 CB LYS A 92 -4.419 -6.933 -4.324 1.00 0.00 C ATOM 1553 CG LYS A 92 -5.693 -6.787 -3.490 1.00 0.00 C ATOM 1554 CD LYS A 92 -6.663 -7.917 -3.835 1.00 0.00 C ATOM 1555 CE LYS A 92 -6.106 -9.245 -3.314 1.00 0.00 C ATOM 1556 NZ LYS A 92 -5.853 -10.058 -4.535 1.00 0.00 N ATOM 0 H LYS A 92 -4.116 -5.107 -5.915 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.625 -5.402 -2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.663 -6.928 -5.386 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.939 -7.888 -4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.450 -6.814 -2.428 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.159 -5.821 -3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.639 -7.721 -3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.808 -7.969 -4.914 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.190 -9.093 -2.744 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -6.816 -9.739 -2.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.217 -10.847 -4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.754 -10.434 -4.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.411 -9.462 -5.264 1.00 0.00 H new ATOM 1570 N SER A 93 -1.453 -6.648 -2.961 1.00 0.00 N ATOM 1571 CA SER A 93 -0.038 -7.113 -2.963 1.00 0.00 C ATOM 1572 C SER A 93 0.023 -8.606 -3.295 1.00 0.00 C ATOM 1573 O SER A 93 0.371 -9.424 -2.465 1.00 0.00 O ATOM 1574 CB SER A 93 0.462 -6.857 -1.542 1.00 0.00 C ATOM 1575 OG SER A 93 1.699 -7.532 -1.349 1.00 0.00 O ATOM 0 H SER A 93 -1.917 -6.675 -2.053 1.00 0.00 H new ATOM 0 HA SER A 93 0.569 -6.597 -3.707 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.589 -5.787 -1.376 1.00 0.00 H new ATOM 0 HB3 SER A 93 -0.273 -7.207 -0.817 1.00 0.00 H new ATOM 0 HG SER A 93 1.580 -8.489 -1.525 1.00 0.00 H new ATOM 1581 N GLN A 94 -0.313 -8.968 -4.503 1.00 0.00 N ATOM 1582 CA GLN A 94 -0.277 -10.408 -4.889 1.00 0.00 C ATOM 1583 C GLN A 94 1.159 -10.829 -5.212 1.00 0.00 C ATOM 1584 O GLN A 94 2.090 -10.065 -5.056 1.00 0.00 O ATOM 1585 CB GLN A 94 -1.160 -10.505 -6.133 1.00 0.00 C ATOM 1586 CG GLN A 94 -2.623 -10.287 -5.739 1.00 0.00 C ATOM 1587 CD GLN A 94 -3.390 -11.604 -5.866 1.00 0.00 C ATOM 1588 OE1 GLN A 94 -3.853 -12.148 -4.882 1.00 0.00 O ATOM 1589 NE2 GLN A 94 -3.549 -12.143 -7.044 1.00 0.00 N ATOM 0 H GLN A 94 -0.611 -8.329 -5.240 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.628 -11.062 -4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -0.855 -9.759 -6.867 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.040 -11.482 -6.602 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -2.683 -9.917 -4.716 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -3.074 -9.529 -6.379 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -3.161 -11.687 -7.870 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -4.061 -13.020 -7.139 1.00 0.00 H new ATOM 1598 N GLU A 95 1.346 -12.040 -5.661 1.00 0.00 N ATOM 1599 CA GLU A 95 2.722 -12.505 -5.992 1.00 0.00 C ATOM 1600 C GLU A 95 2.815 -12.856 -7.480 1.00 0.00 C ATOM 1601 O GLU A 95 2.163 -13.771 -7.944 1.00 0.00 O ATOM 1602 CB GLU A 95 2.939 -13.751 -5.128 1.00 0.00 C ATOM 1603 CG GLU A 95 2.436 -13.483 -3.707 1.00 0.00 C ATOM 1604 CD GLU A 95 3.556 -13.769 -2.703 1.00 0.00 C ATOM 1605 OE1 GLU A 95 4.550 -14.352 -3.103 1.00 0.00 O ATOM 1606 OE2 GLU A 95 3.399 -13.401 -1.551 1.00 0.00 O ATOM 0 H GLU A 95 0.607 -12.726 -5.813 1.00 0.00 H new ATOM 0 HA GLU A 95 3.476 -11.742 -5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 95 2.409 -14.601 -5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.997 -14.012 -5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.108 -12.448 -3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.572 -14.111 -3.492 1.00 0.00 H new ATOM 1613 N PRO A 96 3.627 -12.111 -8.183 1.00 0.00 N ATOM 1614 CA PRO A 96 3.808 -12.342 -9.636 1.00 0.00 C ATOM 1615 C PRO A 96 4.640 -13.604 -9.882 1.00 0.00 C ATOM 1616 O PRO A 96 5.853 -13.583 -9.804 1.00 0.00 O ATOM 1617 CB PRO A 96 4.556 -11.098 -10.106 1.00 0.00 C ATOM 1618 CG PRO A 96 5.263 -10.587 -8.891 1.00 0.00 C ATOM 1619 CD PRO A 96 4.445 -10.996 -7.693 1.00 0.00 C ATOM 0 HA PRO A 96 2.867 -12.494 -10.164 1.00 0.00 H new ATOM 0 HB2 PRO A 96 5.262 -11.339 -10.901 1.00 0.00 H new ATOM 0 HB3 PRO A 96 3.869 -10.352 -10.505 1.00 0.00 H new ATOM 0 HG2 PRO A 96 6.269 -11.001 -8.829 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.367 -9.503 -8.934 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.080 -11.303 -6.862 1.00 0.00 H new ATOM 0 HD3 PRO A 96 3.825 -10.174 -7.334 1.00 0.00 H new ATOM 1627 N PHE A 97 4.001 -14.700 -10.180 1.00 0.00 N ATOM 1628 CA PHE A 97 4.759 -15.960 -10.433 1.00 0.00 C ATOM 1629 C PHE A 97 4.104 -16.756 -11.564 1.00 0.00 C ATOM 1630 O PHE A 97 3.184 -16.295 -12.209 1.00 0.00 O ATOM 1631 CB PHE A 97 4.689 -16.736 -9.118 1.00 0.00 C ATOM 1632 CG PHE A 97 6.052 -17.300 -8.794 1.00 0.00 C ATOM 1633 CD1 PHE A 97 7.004 -16.502 -8.150 1.00 0.00 C ATOM 1634 CD2 PHE A 97 6.363 -18.621 -9.140 1.00 0.00 C ATOM 1635 CE1 PHE A 97 8.268 -17.025 -7.849 1.00 0.00 C ATOM 1636 CE2 PHE A 97 7.626 -19.143 -8.839 1.00 0.00 C ATOM 1637 CZ PHE A 97 8.579 -18.345 -8.195 1.00 0.00 C ATOM 0 H PHE A 97 2.987 -14.780 -10.260 1.00 0.00 H new ATOM 0 HA PHE A 97 5.788 -15.768 -10.738 1.00 0.00 H new ATOM 0 HB2 PHE A 97 4.354 -16.081 -8.314 1.00 0.00 H new ATOM 0 HB3 PHE A 97 3.959 -17.542 -9.197 1.00 0.00 H new ATOM 0 HD1 PHE A 97 6.764 -15.483 -7.885 1.00 0.00 H new ATOM 0 HD2 PHE A 97 5.629 -19.236 -9.639 1.00 0.00 H new ATOM 0 HE1 PHE A 97 9.002 -16.410 -7.350 1.00 0.00 H new ATOM 0 HE2 PHE A 97 7.866 -20.162 -9.104 1.00 0.00 H new ATOM 0 HZ PHE A 97 9.554 -18.748 -7.965 1.00 0.00 H new ATOM 1647 N LEU A 98 4.571 -17.950 -11.809 1.00 0.00 N ATOM 1648 CA LEU A 98 3.974 -18.775 -12.898 1.00 0.00 C ATOM 1649 C LEU A 98 3.212 -19.961 -12.303 1.00 0.00 C ATOM 1650 O LEU A 98 3.648 -20.577 -11.351 1.00 0.00 O ATOM 1651 CB LEU A 98 5.162 -19.259 -13.727 1.00 0.00 C ATOM 1652 CG LEU A 98 4.889 -18.994 -15.207 1.00 0.00 C ATOM 1653 CD1 LEU A 98 6.214 -18.920 -15.969 1.00 0.00 C ATOM 1654 CD2 LEU A 98 4.038 -20.130 -15.778 1.00 0.00 C ATOM 0 H LEU A 98 5.340 -18.390 -11.303 1.00 0.00 H new ATOM 0 HA LEU A 98 3.262 -18.211 -13.501 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.071 -18.744 -13.416 1.00 0.00 H new ATOM 0 HB3 LEU A 98 5.326 -20.324 -13.561 1.00 0.00 H new ATOM 0 HG LEU A 98 4.357 -18.049 -15.313 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.017 -18.731 -17.024 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.823 -18.112 -15.563 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.748 -19.864 -15.863 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.842 -19.943 -16.834 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.572 -21.074 -15.670 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.093 -20.184 -15.238 1.00 0.00 H new ATOM 1666 N ALA A 99 2.075 -20.285 -12.855 1.00 0.00 N ATOM 1667 CA ALA A 99 1.287 -21.430 -12.316 1.00 0.00 C ATOM 1668 C ALA A 99 0.966 -22.423 -13.436 1.00 0.00 C ATOM 1669 O ALA A 99 0.953 -23.620 -13.233 1.00 0.00 O ATOM 1670 CB ALA A 99 0.002 -20.805 -11.771 1.00 0.00 C ATOM 0 H ALA A 99 1.658 -19.808 -13.654 1.00 0.00 H new ATOM 0 HA ALA A 99 1.830 -21.980 -11.548 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.634 -21.586 -11.355 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.250 -20.085 -10.991 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.527 -20.298 -12.578 1.00 0.00 H new ATOM 1676 N ASN A 100 0.707 -21.932 -14.617 1.00 0.00 N ATOM 1677 CA ASN A 100 0.387 -22.847 -15.750 1.00 0.00 C ATOM 1678 C ASN A 100 0.508 -22.105 -17.084 1.00 0.00 C ATOM 1679 O ASN A 100 -0.478 -21.763 -17.707 1.00 0.00 O ATOM 1680 CB ASN A 100 -1.061 -23.278 -15.509 1.00 0.00 C ATOM 1681 CG ASN A 100 -1.916 -22.045 -15.215 1.00 0.00 C ATOM 1682 OD1 ASN A 100 -2.689 -22.038 -14.164 1.00 0.00 O flip ATOM 1683 ND2 ASN A 100 -1.879 -21.077 -15.949 1.00 0.00 N flip ATOM 0 H ASN A 100 0.703 -20.938 -14.847 1.00 0.00 H new ATOM 0 HA ASN A 100 1.067 -23.697 -15.798 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.447 -23.801 -16.384 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -1.110 -23.976 -14.673 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -1.275 -21.083 -16.771 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -2.452 -20.259 -15.743 1.00 0.00 H new ATOM 1690 N ALA A 101 1.709 -21.853 -17.528 1.00 0.00 N ATOM 1691 CA ALA A 101 1.889 -21.135 -18.823 1.00 0.00 C ATOM 1692 C ALA A 101 3.377 -20.997 -19.151 1.00 0.00 C ATOM 1693 O ALA A 101 3.858 -19.875 -19.173 1.00 0.00 O ATOM 1694 CB ALA A 101 1.259 -19.759 -18.604 1.00 0.00 C ATOM 1695 OXT ALA A 101 4.012 -22.015 -19.375 1.00 0.00 O ATOM 0 H ALA A 101 2.573 -22.113 -17.051 1.00 0.00 H new ATOM 0 HA ALA A 101 1.429 -21.667 -19.656 1.00 0.00 H new ATOM 0 HB1 ALA A 101 1.351 -19.168 -19.515 1.00 0.00 H new ATOM 0 HB2 ALA A 101 0.205 -19.877 -18.353 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.771 -19.250 -17.788 1.00 0.00 H new TER 1701 ALA A 101