USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 688 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 46 SER OG : rot 180:sc= 0.00341 USER MOD Set 1.2: A 47 ASN : amide:sc= 0.0101 K(o=0.013,f=-0.86) USER MOD Set 2.1: A 35 ASN : amide:sc= 0.0422 K(o=0.44,f=-4.7!) USER MOD Set 2.2: A 42 GLN : amide:sc= 0.401 K(o=0.44,f=-0.14) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0374 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc=-0.00196 USER MOD Single : A 16 HIS : no HD1:sc= -4.35! C(o=-4.3!,f=-4!) USER MOD Single : A 22 GLN : amide:sc= -1.35 K(o=-1.4,f=-2.3!) USER MOD Single : A 32 GLN : amide:sc= -0.266 K(o=-0.27,f=-2.5!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0129 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -59:sc= 0.477 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0829 USER MOD Single : A 66 SER OG : rot 140:sc= 0.749 USER MOD Single : A 69 TYR OH : rot -51:sc= 1.04 USER MOD Single : A 73 THR OG1 : rot 18:sc= 0.25 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -84:sc=-0.00555 USER MOD Single : A 77 SER OG : rot -35:sc= 0.271 USER MOD Single : A 79 SER OG : rot 180:sc= 0.0439 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 82 THR OG1 : rot 104:sc= 0.501 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.723 10.067 -16.939 1.00 0.00 N ATOM 2 CA GLY A 1 8.047 10.174 -17.523 1.00 0.00 C ATOM 3 C GLY A 1 8.931 8.992 -17.177 1.00 0.00 C ATOM 4 O GLY A 1 8.436 7.900 -16.895 1.00 0.00 O ATOM 0 H1 GLY A 1 6.006 10.282 -17.661 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.577 9.100 -16.584 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.635 10.742 -16.152 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.958 10.252 -18.607 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.521 11.092 -17.176 1.00 0.00 H new ATOM 8 N SER A 2 10.242 9.208 -17.199 1.00 0.00 N ATOM 9 CA SER A 2 11.197 8.151 -16.890 1.00 0.00 C ATOM 10 C SER A 2 11.405 8.030 -15.383 1.00 0.00 C ATOM 11 O SER A 2 12.265 8.697 -14.809 1.00 0.00 O ATOM 12 CB SER A 2 12.534 8.424 -17.581 1.00 0.00 C ATOM 13 OG SER A 2 12.354 8.660 -18.966 1.00 0.00 O ATOM 0 H SER A 2 10.667 10.106 -17.428 1.00 0.00 H new ATOM 0 HA SER A 2 10.791 7.209 -17.260 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.015 9.288 -17.121 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.201 7.574 -17.438 1.00 0.00 H new ATOM 0 HG SER A 2 13.223 8.834 -19.384 1.00 0.00 H new ATOM 19 N SER A 3 10.611 7.173 -14.750 1.00 0.00 N ATOM 20 CA SER A 3 10.704 6.966 -13.309 1.00 0.00 C ATOM 21 C SER A 3 12.162 6.882 -12.866 1.00 0.00 C ATOM 22 O SER A 3 12.967 6.178 -13.473 1.00 0.00 O ATOM 23 CB SER A 3 9.963 5.690 -12.906 1.00 0.00 C ATOM 24 OG SER A 3 9.538 5.752 -11.556 1.00 0.00 O ATOM 0 H SER A 3 9.896 6.611 -15.212 1.00 0.00 H new ATOM 0 HA SER A 3 10.239 7.819 -12.814 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.100 5.546 -13.556 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.615 4.828 -13.046 1.00 0.00 H new ATOM 0 HG SER A 3 9.066 4.925 -11.323 1.00 0.00 H new ATOM 30 N GLY A 4 12.493 7.607 -11.801 1.00 0.00 N ATOM 31 CA GLY A 4 13.852 7.602 -11.294 1.00 0.00 C ATOM 32 C GLY A 4 13.910 7.772 -9.789 1.00 0.00 C ATOM 33 O GLY A 4 13.226 8.628 -9.227 1.00 0.00 O ATOM 0 H GLY A 4 11.844 8.197 -11.281 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.336 6.665 -11.570 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.417 8.404 -11.769 1.00 0.00 H new ATOM 37 N SER A 5 14.727 6.954 -9.133 1.00 0.00 N ATOM 38 CA SER A 5 14.867 7.014 -7.683 1.00 0.00 C ATOM 39 C SER A 5 16.114 7.800 -7.290 1.00 0.00 C ATOM 40 O SER A 5 17.234 7.297 -7.383 1.00 0.00 O ATOM 41 CB SER A 5 14.935 5.603 -7.097 1.00 0.00 C ATOM 42 OG SER A 5 13.675 4.957 -7.175 1.00 0.00 O ATOM 0 H SER A 5 15.302 6.242 -9.583 1.00 0.00 H new ATOM 0 HA SER A 5 13.993 7.526 -7.279 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.681 5.018 -7.635 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.258 5.653 -6.057 1.00 0.00 H new ATOM 0 HG SER A 5 13.745 4.056 -6.796 1.00 0.00 H new ATOM 48 N SER A 6 15.912 9.038 -6.850 1.00 0.00 N ATOM 49 CA SER A 6 17.019 9.897 -6.446 1.00 0.00 C ATOM 50 C SER A 6 17.402 9.640 -4.991 1.00 0.00 C ATOM 51 O SER A 6 18.574 9.446 -4.671 1.00 0.00 O ATOM 52 CB SER A 6 16.646 11.368 -6.635 1.00 0.00 C ATOM 53 OG SER A 6 17.797 12.159 -6.876 1.00 0.00 O ATOM 0 H SER A 6 14.991 9.469 -6.764 1.00 0.00 H new ATOM 0 HA SER A 6 17.877 9.664 -7.076 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.952 11.466 -7.470 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.130 11.733 -5.747 1.00 0.00 H new ATOM 0 HG SER A 6 17.532 13.095 -6.995 1.00 0.00 H new ATOM 59 N GLY A 7 16.404 9.642 -4.113 1.00 0.00 N ATOM 60 CA GLY A 7 16.655 9.409 -2.703 1.00 0.00 C ATOM 61 C GLY A 7 15.409 9.576 -1.856 1.00 0.00 C ATOM 62 O GLY A 7 15.141 10.661 -1.341 1.00 0.00 O ATOM 0 H GLY A 7 15.426 9.801 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.049 8.402 -2.569 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.422 10.100 -2.355 1.00 0.00 H new ATOM 66 N VAL A 8 14.644 8.498 -1.713 1.00 0.00 N ATOM 67 CA VAL A 8 13.419 8.530 -0.924 1.00 0.00 C ATOM 68 C VAL A 8 13.493 7.555 0.246 1.00 0.00 C ATOM 69 O VAL A 8 14.366 6.689 0.289 1.00 0.00 O ATOM 70 CB VAL A 8 12.188 8.190 -1.784 1.00 0.00 C ATOM 71 CG1 VAL A 8 11.995 9.231 -2.876 1.00 0.00 C ATOM 72 CG2 VAL A 8 12.324 6.797 -2.382 1.00 0.00 C ATOM 0 H VAL A 8 14.851 7.592 -2.133 1.00 0.00 H new ATOM 0 HA VAL A 8 13.316 9.545 -0.541 1.00 0.00 H new ATOM 0 HB VAL A 8 11.305 8.202 -1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.120 8.974 -3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.849 10.211 -2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.877 9.255 -3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.445 6.573 -2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.215 6.755 -3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.409 6.064 -1.580 1.00 0.00 H new ATOM 82 N GLU A 9 12.571 7.702 1.191 1.00 0.00 N ATOM 83 CA GLU A 9 12.533 6.833 2.362 1.00 0.00 C ATOM 84 C GLU A 9 11.620 5.634 2.120 1.00 0.00 C ATOM 85 O GLU A 9 10.405 5.781 1.991 1.00 0.00 O ATOM 86 CB GLU A 9 12.054 7.614 3.588 1.00 0.00 C ATOM 87 CG GLU A 9 10.616 8.092 3.482 1.00 0.00 C ATOM 88 CD GLU A 9 10.357 9.346 4.294 1.00 0.00 C ATOM 89 OE1 GLU A 9 10.655 9.339 5.507 1.00 0.00 O ATOM 90 OE2 GLU A 9 9.856 10.334 3.717 1.00 0.00 O ATOM 0 H GLU A 9 11.841 8.414 1.169 1.00 0.00 H new ATOM 0 HA GLU A 9 13.543 6.467 2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.154 6.984 4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.704 8.476 3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.377 8.285 2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.948 7.300 3.820 1.00 0.00 H new ATOM 97 N VAL A 10 12.215 4.447 2.061 1.00 0.00 N ATOM 98 CA VAL A 10 11.457 3.222 1.835 1.00 0.00 C ATOM 99 C VAL A 10 11.293 2.432 3.129 1.00 0.00 C ATOM 100 O VAL A 10 12.142 1.612 3.478 1.00 0.00 O ATOM 101 CB VAL A 10 12.137 2.328 0.782 1.00 0.00 C ATOM 102 CG1 VAL A 10 11.383 1.016 0.629 1.00 0.00 C ATOM 103 CG2 VAL A 10 12.236 3.054 -0.550 1.00 0.00 C ATOM 0 H VAL A 10 13.220 4.308 2.167 1.00 0.00 H new ATOM 0 HA VAL A 10 10.475 3.519 1.467 1.00 0.00 H new ATOM 0 HB VAL A 10 13.148 2.101 1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.878 0.397 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.370 0.490 1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.360 1.219 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.719 2.407 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.236 3.313 -0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.824 3.964 -0.426 1.00 0.00 H new ATOM 113 N GLU A 11 10.196 2.685 3.835 1.00 0.00 N ATOM 114 CA GLU A 11 9.921 1.996 5.091 1.00 0.00 C ATOM 115 C GLU A 11 9.783 0.493 4.868 1.00 0.00 C ATOM 116 O GLU A 11 8.799 0.028 4.293 1.00 0.00 O ATOM 117 CB GLU A 11 8.646 2.547 5.732 1.00 0.00 C ATOM 118 CG GLU A 11 8.636 2.448 7.248 1.00 0.00 C ATOM 119 CD GLU A 11 7.565 3.316 7.882 1.00 0.00 C ATOM 120 OE1 GLU A 11 7.331 4.433 7.375 1.00 0.00 O ATOM 121 OE2 GLU A 11 6.963 2.878 8.885 1.00 0.00 O ATOM 0 H GLU A 11 9.484 3.361 3.559 1.00 0.00 H new ATOM 0 HA GLU A 11 10.761 2.170 5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.526 3.591 5.444 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.787 2.006 5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.477 1.410 7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.612 2.742 7.634 1.00 0.00 H new ATOM 128 N SER A 12 10.776 -0.262 5.327 1.00 0.00 N ATOM 129 CA SER A 12 10.768 -1.712 5.174 1.00 0.00 C ATOM 130 C SER A 12 9.883 -2.365 6.232 1.00 0.00 C ATOM 131 O SER A 12 9.742 -1.852 7.342 1.00 0.00 O ATOM 132 CB SER A 12 12.192 -2.264 5.273 1.00 0.00 C ATOM 133 OG SER A 12 12.182 -3.672 5.436 1.00 0.00 O ATOM 0 H SER A 12 11.596 0.107 5.808 1.00 0.00 H new ATOM 0 HA SER A 12 10.362 -1.947 4.190 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.750 -2.003 4.374 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.708 -1.801 6.114 1.00 0.00 H new ATOM 0 HG SER A 12 13.103 -4.001 5.495 1.00 0.00 H new ATOM 139 N PHE A 13 9.288 -3.499 5.878 1.00 0.00 N ATOM 140 CA PHE A 13 8.415 -4.223 6.795 1.00 0.00 C ATOM 141 C PHE A 13 8.618 -5.729 6.664 1.00 0.00 C ATOM 142 O PHE A 13 9.323 -6.197 5.768 1.00 0.00 O ATOM 143 CB PHE A 13 6.951 -3.869 6.524 1.00 0.00 C ATOM 144 CG PHE A 13 6.527 -2.563 7.133 1.00 0.00 C ATOM 145 CD1 PHE A 13 6.835 -1.363 6.515 1.00 0.00 C ATOM 146 CD2 PHE A 13 5.820 -2.537 8.324 1.00 0.00 C ATOM 147 CE1 PHE A 13 6.447 -0.160 7.074 1.00 0.00 C ATOM 148 CE2 PHE A 13 5.428 -1.337 8.888 1.00 0.00 C ATOM 149 CZ PHE A 13 5.742 -0.147 8.261 1.00 0.00 C ATOM 0 H PHE A 13 9.394 -3.937 4.963 1.00 0.00 H new ATOM 0 HA PHE A 13 8.672 -3.927 7.812 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.789 -3.828 5.447 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.315 -4.665 6.912 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.385 -1.367 5.585 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.572 -3.465 8.818 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.695 0.769 6.583 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.877 -1.330 9.817 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.437 0.792 8.699 1.00 0.00 H new ATOM 159 N LEU A 14 7.998 -6.484 7.564 1.00 0.00 N ATOM 160 CA LEU A 14 8.111 -7.938 7.552 1.00 0.00 C ATOM 161 C LEU A 14 6.944 -8.581 8.296 1.00 0.00 C ATOM 162 O LEU A 14 6.686 -8.266 9.457 1.00 0.00 O ATOM 163 CB LEU A 14 9.434 -8.372 8.183 1.00 0.00 C ATOM 164 CG LEU A 14 9.798 -9.850 8.032 1.00 0.00 C ATOM 165 CD1 LEU A 14 8.719 -10.730 8.644 1.00 0.00 C ATOM 166 CD2 LEU A 14 10.006 -10.201 6.566 1.00 0.00 C ATOM 0 H LEU A 14 7.412 -6.113 8.312 1.00 0.00 H new ATOM 0 HA LEU A 14 8.084 -8.271 6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.235 -7.775 7.746 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.402 -8.133 9.246 1.00 0.00 H new ATOM 0 HG LEU A 14 10.732 -10.031 8.564 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.995 -11.778 8.527 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.618 -10.497 9.704 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.770 -10.546 8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.264 -11.256 6.478 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.089 -10.004 6.011 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.814 -9.594 6.158 1.00 0.00 H new ATOM 178 N VAL A 15 6.244 -9.486 7.619 1.00 0.00 N ATOM 179 CA VAL A 15 5.107 -10.176 8.216 1.00 0.00 C ATOM 180 C VAL A 15 4.976 -11.593 7.669 1.00 0.00 C ATOM 181 O VAL A 15 5.821 -12.055 6.902 1.00 0.00 O ATOM 182 CB VAL A 15 3.792 -9.416 7.962 1.00 0.00 C ATOM 183 CG1 VAL A 15 3.833 -8.045 8.619 1.00 0.00 C ATOM 184 CG2 VAL A 15 3.528 -9.293 6.469 1.00 0.00 C ATOM 0 H VAL A 15 6.445 -9.758 6.657 1.00 0.00 H new ATOM 0 HA VAL A 15 5.291 -10.219 9.289 1.00 0.00 H new ATOM 0 HB VAL A 15 2.973 -9.982 8.407 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.896 -7.522 8.429 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.973 -8.161 9.694 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.660 -7.468 8.206 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.595 -8.753 6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.347 -8.750 5.998 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.452 -10.288 6.030 1.00 0.00 H new ATOM 194 N HIS A 16 3.910 -12.280 8.070 1.00 0.00 N ATOM 195 CA HIS A 16 3.666 -13.645 7.619 1.00 0.00 C ATOM 196 C HIS A 16 2.224 -13.814 7.152 1.00 0.00 C ATOM 197 O HIS A 16 1.377 -12.942 7.347 1.00 0.00 O ATOM 198 CB HIS A 16 3.971 -14.637 8.742 1.00 0.00 C ATOM 199 CG HIS A 16 2.753 -15.320 9.285 1.00 0.00 C ATOM 200 ND1 HIS A 16 2.609 -16.691 9.314 1.00 0.00 N ATOM 201 CD2 HIS A 16 1.620 -14.812 9.823 1.00 0.00 C ATOM 202 CE1 HIS A 16 1.439 -16.997 9.845 1.00 0.00 C ATOM 203 NE2 HIS A 16 0.819 -15.875 10.163 1.00 0.00 N ATOM 0 H HIS A 16 3.202 -11.913 8.706 1.00 0.00 H new ATOM 0 HA HIS A 16 4.327 -13.847 6.776 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.665 -15.391 8.371 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.475 -14.111 9.553 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.389 -13.766 9.960 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.055 -17.995 9.994 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -0.104 -15.809 10.591 1.00 0.00 H new ATOM 212 N PRO A 17 1.936 -14.962 6.520 1.00 0.00 N ATOM 213 CA PRO A 17 0.596 -15.272 6.013 1.00 0.00 C ATOM 214 C PRO A 17 -0.405 -15.524 7.135 1.00 0.00 C ATOM 215 O PRO A 17 -0.532 -16.645 7.626 1.00 0.00 O ATOM 216 CB PRO A 17 0.814 -16.546 5.193 1.00 0.00 C ATOM 217 CG PRO A 17 2.024 -17.179 5.790 1.00 0.00 C ATOM 218 CD PRO A 17 2.897 -16.046 6.254 1.00 0.00 C ATOM 0 HA PRO A 17 0.176 -14.446 5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.050 -17.208 5.253 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.967 -16.317 4.138 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.754 -17.830 6.622 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.543 -17.797 5.057 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.460 -16.313 7.149 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.624 -15.761 5.493 1.00 0.00 H new ATOM 226 N GLY A 18 -1.115 -14.474 7.536 1.00 0.00 N ATOM 227 CA GLY A 18 -2.096 -14.604 8.597 1.00 0.00 C ATOM 228 C GLY A 18 -2.040 -13.453 9.582 1.00 0.00 C ATOM 229 O GLY A 18 -2.907 -13.324 10.447 1.00 0.00 O ATOM 0 H GLY A 18 -1.028 -13.536 7.145 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.094 -14.657 8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.930 -15.541 9.128 1.00 0.00 H new ATOM 233 N ASP A 19 -1.018 -12.614 9.452 1.00 0.00 N ATOM 234 CA ASP A 19 -0.852 -11.468 10.338 1.00 0.00 C ATOM 235 C ASP A 19 -1.629 -10.262 9.819 1.00 0.00 C ATOM 236 O ASP A 19 -2.367 -10.362 8.837 1.00 0.00 O ATOM 237 CB ASP A 19 0.629 -11.114 10.477 1.00 0.00 C ATOM 238 CG ASP A 19 1.309 -11.894 11.585 1.00 0.00 C ATOM 239 OD1 ASP A 19 0.727 -12.898 12.048 1.00 0.00 O ATOM 240 OD2 ASP A 19 2.424 -11.502 11.988 1.00 0.00 O ATOM 0 H ASP A 19 -0.292 -12.706 8.741 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.247 -11.738 11.318 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.137 -11.312 9.533 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.727 -10.047 10.675 1.00 0.00 H new ATOM 245 N LEU A 20 -1.461 -9.125 10.483 1.00 0.00 N ATOM 246 CA LEU A 20 -2.147 -7.899 10.090 1.00 0.00 C ATOM 247 C LEU A 20 -1.164 -6.887 9.511 1.00 0.00 C ATOM 248 O LEU A 20 -0.368 -6.291 10.238 1.00 0.00 O ATOM 249 CB LEU A 20 -2.876 -7.291 11.290 1.00 0.00 C ATOM 250 CG LEU A 20 -3.737 -6.062 10.999 1.00 0.00 C ATOM 251 CD1 LEU A 20 -4.919 -6.435 10.117 1.00 0.00 C ATOM 252 CD2 LEU A 20 -4.217 -5.429 12.297 1.00 0.00 C ATOM 0 H LEU A 20 -0.855 -9.026 11.297 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.876 -8.151 9.320 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.511 -8.059 11.731 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.134 -7.021 12.042 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.128 -5.333 10.465 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.521 -5.548 9.920 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.555 -6.843 9.174 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.530 -7.182 10.624 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.829 -4.555 12.071 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.810 -6.152 12.857 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.357 -5.125 12.894 1.00 0.00 H new ATOM 264 N LEU A 21 -1.226 -6.694 8.198 1.00 0.00 N ATOM 265 CA LEU A 21 -0.343 -5.751 7.520 1.00 0.00 C ATOM 266 C LEU A 21 -0.844 -4.320 7.687 1.00 0.00 C ATOM 267 O LEU A 21 -1.773 -3.894 7.002 1.00 0.00 O ATOM 268 CB LEU A 21 -0.239 -6.097 6.034 1.00 0.00 C ATOM 269 CG LEU A 21 0.634 -5.169 5.188 1.00 0.00 C ATOM 270 CD1 LEU A 21 2.073 -5.197 5.678 1.00 0.00 C ATOM 271 CD2 LEU A 21 0.561 -5.560 3.719 1.00 0.00 C ATOM 0 H LEU A 21 -1.879 -7.178 7.581 1.00 0.00 H new ATOM 0 HA LEU A 21 0.645 -5.826 7.974 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.150 -7.111 5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.244 -6.103 5.612 1.00 0.00 H new ATOM 0 HG LEU A 21 0.256 -4.152 5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.679 -4.531 5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.110 -4.868 6.716 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.463 -6.212 5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.188 -4.889 3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.913 -6.585 3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.470 -5.487 3.374 1.00 0.00 H new ATOM 283 N GLN A 22 -0.220 -3.583 8.600 1.00 0.00 N ATOM 284 CA GLN A 22 -0.601 -2.199 8.855 1.00 0.00 C ATOM 285 C GLN A 22 0.465 -1.237 8.342 1.00 0.00 C ATOM 286 O GLN A 22 1.656 -1.424 8.591 1.00 0.00 O ATOM 287 CB GLN A 22 -0.827 -1.978 10.352 1.00 0.00 C ATOM 288 CG GLN A 22 -2.222 -2.360 10.820 1.00 0.00 C ATOM 289 CD GLN A 22 -2.674 -1.557 12.024 1.00 0.00 C ATOM 290 OE1 GLN A 22 -2.126 -0.495 12.318 1.00 0.00 O ATOM 291 NE2 GLN A 22 -3.680 -2.062 12.728 1.00 0.00 N ATOM 0 H GLN A 22 0.551 -3.921 9.175 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.530 -2.000 8.321 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.094 -2.559 10.911 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.649 -0.929 10.587 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.928 -2.212 10.003 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.240 -3.421 11.068 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.105 -2.946 12.448 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.028 -1.566 13.549 1.00 0.00 H new ATOM 300 N LEU A 23 0.029 -0.208 7.624 1.00 0.00 N ATOM 301 CA LEU A 23 0.946 0.785 7.075 1.00 0.00 C ATOM 302 C LEU A 23 0.543 2.193 7.500 1.00 0.00 C ATOM 303 O LEU A 23 -0.496 2.388 8.131 1.00 0.00 O ATOM 304 CB LEU A 23 0.978 0.690 5.549 1.00 0.00 C ATOM 305 CG LEU A 23 1.500 -0.625 4.969 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.405 -0.614 3.451 1.00 0.00 C ATOM 307 CD2 LEU A 23 2.934 -0.873 5.413 1.00 0.00 C ATOM 0 H LEU A 23 -0.954 -0.039 7.408 1.00 0.00 H new ATOM 0 HA LEU A 23 1.942 0.579 7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.032 0.854 5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.596 1.503 5.167 1.00 0.00 H new ATOM 0 HG LEU A 23 0.879 -1.437 5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.781 -1.558 3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.365 -0.484 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.001 0.208 3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.288 -1.813 4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.568 -0.057 5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.974 -0.926 6.501 1.00 0.00 H new ATOM 319 N ARG A 24 1.371 3.172 7.149 1.00 0.00 N ATOM 320 CA ARG A 24 1.100 4.562 7.493 1.00 0.00 C ATOM 321 C ARG A 24 1.723 5.507 6.469 1.00 0.00 C ATOM 322 O ARG A 24 2.832 5.275 5.988 1.00 0.00 O ATOM 323 CB ARG A 24 1.639 4.879 8.889 1.00 0.00 C ATOM 324 CG ARG A 24 1.037 6.131 9.505 1.00 0.00 C ATOM 325 CD ARG A 24 1.558 6.364 10.914 1.00 0.00 C ATOM 326 NE ARG A 24 0.878 7.478 11.572 1.00 0.00 N ATOM 327 CZ ARG A 24 1.198 7.923 12.782 1.00 0.00 C ATOM 328 NH1 ARG A 24 2.182 7.352 13.462 1.00 0.00 N ATOM 329 NH2 ARG A 24 0.533 8.941 13.313 1.00 0.00 N ATOM 0 H ARG A 24 2.235 3.028 6.627 1.00 0.00 H new ATOM 0 HA ARG A 24 0.020 4.707 7.486 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.444 4.031 9.546 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.721 4.996 8.833 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.272 6.994 8.882 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.049 6.041 9.528 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.424 5.458 11.505 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.629 6.564 10.876 1.00 0.00 H new ATOM 0 HE ARG A 24 0.116 7.939 11.075 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.695 6.569 13.056 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.426 7.695 14.391 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.225 9.383 12.792 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.779 9.282 14.242 1.00 0.00 H new ATOM 343 N CYS A 25 1.001 6.573 6.140 1.00 0.00 N ATOM 344 CA CYS A 25 1.481 7.553 5.173 1.00 0.00 C ATOM 345 C CYS A 25 1.717 8.905 5.840 1.00 0.00 C ATOM 346 O CYS A 25 0.780 9.545 6.318 1.00 0.00 O ATOM 347 CB CYS A 25 0.477 7.705 4.028 1.00 0.00 C ATOM 348 SG CYS A 25 0.913 9.001 2.824 1.00 0.00 S ATOM 0 H CYS A 25 0.081 6.780 6.529 1.00 0.00 H new ATOM 0 HA CYS A 25 2.429 7.196 4.771 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.391 6.752 3.505 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.504 7.928 4.447 1.00 0.00 H new ATOM 353 N ARG A 26 2.975 9.333 5.868 1.00 0.00 N ATOM 354 CA ARG A 26 3.335 10.607 6.477 1.00 0.00 C ATOM 355 C ARG A 26 2.667 11.768 5.745 1.00 0.00 C ATOM 356 O ARG A 26 3.037 12.101 4.618 1.00 0.00 O ATOM 357 CB ARG A 26 4.854 10.791 6.466 1.00 0.00 C ATOM 358 CG ARG A 26 5.543 10.238 7.704 1.00 0.00 C ATOM 359 CD ARG A 26 7.050 10.429 7.634 1.00 0.00 C ATOM 360 NE ARG A 26 7.451 11.772 8.042 1.00 0.00 N ATOM 361 CZ ARG A 26 8.715 12.139 8.221 1.00 0.00 C ATOM 362 NH1 ARG A 26 9.695 11.268 8.027 1.00 0.00 N ATOM 363 NH2 ARG A 26 9.000 13.381 8.593 1.00 0.00 N ATOM 0 H ARG A 26 3.762 8.816 5.476 1.00 0.00 H new ATOM 0 HA ARG A 26 2.984 10.599 7.509 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.265 10.302 5.583 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.082 11.853 6.377 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.153 10.736 8.592 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.314 9.177 7.806 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.539 9.695 8.274 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.392 10.242 6.616 1.00 0.00 H new ATOM 0 HE ARG A 26 6.721 12.467 8.198 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.479 10.313 7.740 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.665 11.552 8.165 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.248 14.054 8.742 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.971 13.662 8.730 1.00 0.00 H new ATOM 377 N LEU A 27 1.681 12.379 6.392 1.00 0.00 N ATOM 378 CA LEU A 27 0.960 13.502 5.803 1.00 0.00 C ATOM 379 C LEU A 27 1.503 14.830 6.321 1.00 0.00 C ATOM 380 O LEU A 27 2.463 14.861 7.091 1.00 0.00 O ATOM 381 CB LEU A 27 -0.534 13.393 6.112 1.00 0.00 C ATOM 382 CG LEU A 27 -1.230 12.122 5.625 1.00 0.00 C ATOM 383 CD1 LEU A 27 -2.741 12.279 5.696 1.00 0.00 C ATOM 384 CD2 LEU A 27 -0.793 11.785 4.207 1.00 0.00 C ATOM 0 H LEU A 27 1.362 12.116 7.325 1.00 0.00 H new ATOM 0 HA LEU A 27 1.105 13.468 4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.667 13.465 7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.039 14.252 5.670 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.940 11.299 6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.219 11.364 5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.039 12.472 6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.050 13.114 5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.298 10.877 3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.053 12.608 3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.285 11.628 4.186 1.00 0.00 H new ATOM 396 N ARG A 28 0.881 15.924 5.895 1.00 0.00 N ATOM 397 CA ARG A 28 1.301 17.255 6.317 1.00 0.00 C ATOM 398 C ARG A 28 0.095 18.119 6.672 1.00 0.00 C ATOM 399 O ARG A 28 -1.046 17.658 6.629 1.00 0.00 O ATOM 400 CB ARG A 28 2.118 17.929 5.213 1.00 0.00 C ATOM 401 CG ARG A 28 2.893 16.951 4.346 1.00 0.00 C ATOM 402 CD ARG A 28 3.600 17.661 3.201 1.00 0.00 C ATOM 403 NE ARG A 28 4.674 18.530 3.676 1.00 0.00 N ATOM 404 CZ ARG A 28 4.488 19.791 4.048 1.00 0.00 C ATOM 405 NH1 ARG A 28 3.276 20.328 4.001 1.00 0.00 N ATOM 406 NH2 ARG A 28 5.515 20.519 4.469 1.00 0.00 N ATOM 0 H ARG A 28 0.084 15.915 5.258 1.00 0.00 H new ATOM 0 HA ARG A 28 1.923 17.148 7.206 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.448 18.510 4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.817 18.632 5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.626 16.424 4.956 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.212 16.200 3.945 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.010 16.921 2.513 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.877 18.252 2.639 1.00 0.00 H new ATOM 0 HE ARG A 28 5.618 18.147 3.725 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.484 19.772 3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.136 21.297 4.287 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.449 20.110 4.507 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.371 21.488 4.754 1.00 0.00 H new ATOM 420 N ASP A 29 0.355 19.374 7.022 1.00 0.00 N ATOM 421 CA ASP A 29 -0.710 20.303 7.383 1.00 0.00 C ATOM 422 C ASP A 29 -1.338 20.922 6.138 1.00 0.00 C ATOM 423 O ASP A 29 -2.373 21.583 6.216 1.00 0.00 O ATOM 424 CB ASP A 29 -0.166 21.404 8.296 1.00 0.00 C ATOM 425 CG ASP A 29 -1.194 21.880 9.304 1.00 0.00 C ATOM 426 OD1 ASP A 29 -2.402 21.803 9.000 1.00 0.00 O ATOM 427 OD2 ASP A 29 -0.789 22.329 10.397 1.00 0.00 O ATOM 0 H ASP A 29 1.293 19.771 7.063 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.480 19.745 7.916 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.712 21.033 8.824 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.161 22.248 7.688 1.00 0.00 H new ATOM 432 N ASP A 30 -0.704 20.702 4.991 1.00 0.00 N ATOM 433 CA ASP A 30 -1.200 21.238 3.729 1.00 0.00 C ATOM 434 C ASP A 30 -1.884 20.149 2.908 1.00 0.00 C ATOM 435 O ASP A 30 -2.837 20.415 2.176 1.00 0.00 O ATOM 436 CB ASP A 30 -0.054 21.855 2.926 1.00 0.00 C ATOM 437 CG ASP A 30 0.405 23.182 3.499 1.00 0.00 C ATOM 438 OD1 ASP A 30 -0.204 24.217 3.158 1.00 0.00 O ATOM 439 OD2 ASP A 30 1.374 23.185 4.287 1.00 0.00 O ATOM 0 H ASP A 30 0.154 20.156 4.910 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.933 22.013 3.955 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.786 21.161 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.374 21.999 1.894 1.00 0.00 H new ATOM 444 N VAL A 31 -1.389 18.921 3.034 1.00 0.00 N ATOM 445 CA VAL A 31 -1.952 17.792 2.304 1.00 0.00 C ATOM 446 C VAL A 31 -3.453 17.964 2.097 1.00 0.00 C ATOM 447 O VAL A 31 -4.156 18.463 2.975 1.00 0.00 O ATOM 448 CB VAL A 31 -1.695 16.463 3.041 1.00 0.00 C ATOM 449 CG1 VAL A 31 -2.711 15.413 2.617 1.00 0.00 C ATOM 450 CG2 VAL A 31 -0.276 15.979 2.785 1.00 0.00 C ATOM 0 H VAL A 31 -0.600 18.684 3.635 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.456 17.763 1.334 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.809 16.632 4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.514 14.481 3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.716 15.761 2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.632 15.243 1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.111 15.040 3.313 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.132 15.825 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.433 16.725 3.143 1.00 0.00 H new ATOM 460 N GLN A 32 -3.936 17.546 0.932 1.00 0.00 N ATOM 461 CA GLN A 32 -5.354 17.654 0.610 1.00 0.00 C ATOM 462 C GLN A 32 -5.974 16.275 0.414 1.00 0.00 C ATOM 463 O GLN A 32 -7.128 16.045 0.776 1.00 0.00 O ATOM 464 CB GLN A 32 -5.549 18.498 -0.651 1.00 0.00 C ATOM 465 CG GLN A 32 -5.105 19.943 -0.490 1.00 0.00 C ATOM 466 CD GLN A 32 -5.898 20.898 -1.361 1.00 0.00 C ATOM 467 OE1 GLN A 32 -6.929 20.530 -1.926 1.00 0.00 O ATOM 468 NE2 GLN A 32 -5.421 22.132 -1.474 1.00 0.00 N ATOM 0 H GLN A 32 -3.367 17.129 0.195 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.855 18.142 1.446 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.992 18.045 -1.471 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.602 18.479 -0.932 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.210 20.237 0.554 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.047 20.024 -0.739 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.563 22.394 -0.988 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.912 22.818 -2.047 1.00 0.00 H new ATOM 477 N SER A 33 -5.201 15.360 -0.163 1.00 0.00 N ATOM 478 CA SER A 33 -5.677 14.004 -0.412 1.00 0.00 C ATOM 479 C SER A 33 -4.523 13.007 -0.367 1.00 0.00 C ATOM 480 O SER A 33 -3.368 13.387 -0.170 1.00 0.00 O ATOM 481 CB SER A 33 -6.379 13.928 -1.769 1.00 0.00 C ATOM 482 OG SER A 33 -5.624 14.585 -2.772 1.00 0.00 O ATOM 0 H SER A 33 -4.243 15.533 -0.467 1.00 0.00 H new ATOM 0 HA SER A 33 -6.389 13.745 0.372 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.528 12.885 -2.047 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.367 14.383 -1.697 1.00 0.00 H new ATOM 0 HG SER A 33 -6.094 14.520 -3.630 1.00 0.00 H new ATOM 488 N ILE A 34 -4.844 11.731 -0.552 1.00 0.00 N ATOM 489 CA ILE A 34 -3.835 10.680 -0.534 1.00 0.00 C ATOM 490 C ILE A 34 -4.106 9.639 -1.615 1.00 0.00 C ATOM 491 O ILE A 34 -5.254 9.269 -1.860 1.00 0.00 O ATOM 492 CB ILE A 34 -3.778 9.978 0.836 1.00 0.00 C ATOM 493 CG1 ILE A 34 -3.795 11.011 1.964 1.00 0.00 C ATOM 494 CG2 ILE A 34 -2.538 9.102 0.931 1.00 0.00 C ATOM 495 CD1 ILE A 34 -4.148 10.427 3.314 1.00 0.00 C ATOM 0 H ILE A 34 -5.795 11.400 -0.716 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.876 11.160 -0.728 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.657 9.342 0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.815 11.484 2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.512 11.794 1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.512 8.613 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.565 8.346 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.647 9.718 0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.141 11.217 4.065 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.141 9.979 3.268 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.417 9.664 3.583 1.00 0.00 H new ATOM 507 N ASN A 35 -3.042 9.170 -2.257 1.00 0.00 N ATOM 508 CA ASN A 35 -3.165 8.170 -3.312 1.00 0.00 C ATOM 509 C ASN A 35 -2.285 6.959 -3.018 1.00 0.00 C ATOM 510 O ASN A 35 -1.065 7.013 -3.171 1.00 0.00 O ATOM 511 CB ASN A 35 -2.783 8.775 -4.664 1.00 0.00 C ATOM 512 CG ASN A 35 -3.528 8.130 -5.817 1.00 0.00 C ATOM 513 OD1 ASN A 35 -4.709 7.801 -5.701 1.00 0.00 O ATOM 514 ND2 ASN A 35 -2.839 7.947 -6.937 1.00 0.00 N ATOM 0 H ASN A 35 -2.085 9.466 -2.066 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.204 7.842 -3.349 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.992 9.845 -4.653 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.710 8.662 -4.820 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.287 7.518 -7.747 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.862 8.235 -6.988 1.00 0.00 H new ATOM 521 N TRP A 36 -2.913 5.867 -2.597 1.00 0.00 N ATOM 522 CA TRP A 36 -2.187 4.641 -2.282 1.00 0.00 C ATOM 523 C TRP A 36 -1.828 3.880 -3.554 1.00 0.00 C ATOM 524 O TRP A 36 -2.645 3.759 -4.468 1.00 0.00 O ATOM 525 CB TRP A 36 -3.022 3.753 -1.359 1.00 0.00 C ATOM 526 CG TRP A 36 -2.936 4.148 0.084 1.00 0.00 C ATOM 527 CD1 TRP A 36 -3.882 4.814 0.809 1.00 0.00 C ATOM 528 CD2 TRP A 36 -1.842 3.905 0.975 1.00 0.00 C ATOM 529 NE1 TRP A 36 -3.443 4.999 2.098 1.00 0.00 N ATOM 530 CE2 TRP A 36 -2.195 4.450 2.226 1.00 0.00 C ATOM 531 CE3 TRP A 36 -0.601 3.278 0.840 1.00 0.00 C ATOM 532 CZ2 TRP A 36 -1.349 4.386 3.330 1.00 0.00 C ATOM 533 CZ3 TRP A 36 0.238 3.216 1.937 1.00 0.00 C ATOM 534 CH2 TRP A 36 -0.139 3.767 3.169 1.00 0.00 C ATOM 0 H TRP A 36 -3.923 5.805 -2.466 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.263 4.915 -1.772 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.064 3.790 -1.677 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.692 2.719 -1.465 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.835 5.147 0.426 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.963 5.469 2.839 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.302 2.849 -0.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.638 4.810 4.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.200 2.735 1.843 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.538 3.702 4.008 1.00 0.00 H new ATOM 545 N LEU A 37 -0.604 3.368 -3.606 1.00 0.00 N ATOM 546 CA LEU A 37 -0.137 2.617 -4.766 1.00 0.00 C ATOM 547 C LEU A 37 0.595 1.350 -4.336 1.00 0.00 C ATOM 548 O LEU A 37 1.020 1.226 -3.187 1.00 0.00 O ATOM 549 CB LEU A 37 0.784 3.486 -5.624 1.00 0.00 C ATOM 550 CG LEU A 37 0.129 4.685 -6.309 1.00 0.00 C ATOM 551 CD1 LEU A 37 1.142 5.800 -6.517 1.00 0.00 C ATOM 552 CD2 LEU A 37 -0.489 4.269 -7.636 1.00 0.00 C ATOM 0 H LEU A 37 0.084 3.459 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.007 2.329 -5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.596 3.851 -4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.234 2.856 -6.391 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.665 5.059 -5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.658 6.645 -7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.538 6.117 -5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.958 5.438 -7.142 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.951 5.135 -8.110 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.287 3.869 -8.289 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.246 3.505 -7.461 1.00 0.00 H new ATOM 564 N ARG A 38 0.741 0.412 -5.266 1.00 0.00 N ATOM 565 CA ARG A 38 1.424 -0.845 -4.984 1.00 0.00 C ATOM 566 C ARG A 38 2.072 -1.407 -6.246 1.00 0.00 C ATOM 567 O ARG A 38 1.384 -1.795 -7.190 1.00 0.00 O ATOM 568 CB ARG A 38 0.441 -1.864 -4.405 1.00 0.00 C ATOM 569 CG ARG A 38 1.088 -3.184 -4.019 1.00 0.00 C ATOM 570 CD ARG A 38 0.229 -3.960 -3.034 1.00 0.00 C ATOM 571 NE ARG A 38 -0.718 -4.843 -3.710 1.00 0.00 N ATOM 572 CZ ARG A 38 -0.356 -5.926 -4.388 1.00 0.00 C ATOM 573 NH1 ARG A 38 0.924 -6.258 -4.480 1.00 0.00 N ATOM 574 NH2 ARG A 38 -1.276 -6.680 -4.976 1.00 0.00 N ATOM 0 H ARG A 38 0.395 0.499 -6.222 1.00 0.00 H new ATOM 0 HA ARG A 38 2.207 -0.648 -4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.039 -1.434 -3.526 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.345 -2.054 -5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.251 -3.785 -4.913 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.067 -2.995 -3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.871 -4.550 -2.380 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.316 -3.261 -2.400 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.711 -4.616 -3.659 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.634 -5.681 -4.029 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.199 -7.090 -5.001 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.262 -6.428 -4.907 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.997 -7.512 -5.497 1.00 0.00 H new ATOM 588 N ASP A 39 3.400 -1.447 -6.254 1.00 0.00 N ATOM 589 CA ASP A 39 4.142 -1.962 -7.399 1.00 0.00 C ATOM 590 C ASP A 39 3.886 -1.111 -8.640 1.00 0.00 C ATOM 591 O ASP A 39 4.003 -1.589 -9.767 1.00 0.00 O ATOM 592 CB ASP A 39 3.753 -3.416 -7.674 1.00 0.00 C ATOM 593 CG ASP A 39 4.891 -4.214 -8.280 1.00 0.00 C ATOM 594 OD1 ASP A 39 6.012 -4.158 -7.734 1.00 0.00 O ATOM 595 OD2 ASP A 39 4.658 -4.896 -9.300 1.00 0.00 O ATOM 0 H ASP A 39 3.984 -1.129 -5.481 1.00 0.00 H new ATOM 0 HA ASP A 39 5.205 -1.917 -7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.438 -3.887 -6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.897 -3.439 -8.349 1.00 0.00 H new ATOM 600 N GLY A 40 3.536 0.153 -8.422 1.00 0.00 N ATOM 601 CA GLY A 40 3.268 1.050 -9.531 1.00 0.00 C ATOM 602 C GLY A 40 1.843 0.938 -10.036 1.00 0.00 C ATOM 603 O GLY A 40 1.605 0.913 -11.244 1.00 0.00 O ATOM 0 H GLY A 40 3.433 0.572 -7.498 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.460 2.076 -9.219 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.957 0.831 -10.346 1.00 0.00 H new ATOM 607 N VAL A 41 0.892 0.869 -9.110 1.00 0.00 N ATOM 608 CA VAL A 41 -0.517 0.758 -9.468 1.00 0.00 C ATOM 609 C VAL A 41 -1.413 1.165 -8.304 1.00 0.00 C ATOM 610 O VAL A 41 -1.065 0.963 -7.141 1.00 0.00 O ATOM 611 CB VAL A 41 -0.875 -0.676 -9.901 1.00 0.00 C ATOM 612 CG1 VAL A 41 -1.003 -1.584 -8.687 1.00 0.00 C ATOM 613 CG2 VAL A 41 -2.157 -0.681 -10.719 1.00 0.00 C ATOM 0 H VAL A 41 1.072 0.888 -8.106 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.685 1.435 -10.306 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.070 -1.059 -10.528 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.256 -2.593 -9.012 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.057 -1.604 -8.146 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.788 -1.207 -8.031 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.395 -1.702 -11.016 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.973 -0.278 -10.119 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.023 -0.066 -11.609 1.00 0.00 H new ATOM 623 N GLN A 42 -2.568 1.737 -8.626 1.00 0.00 N ATOM 624 CA GLN A 42 -3.515 2.172 -7.606 1.00 0.00 C ATOM 625 C GLN A 42 -3.889 1.017 -6.682 1.00 0.00 C ATOM 626 O GLN A 42 -4.280 -0.057 -7.141 1.00 0.00 O ATOM 627 CB GLN A 42 -4.773 2.747 -8.259 1.00 0.00 C ATOM 628 CG GLN A 42 -5.823 3.205 -7.259 1.00 0.00 C ATOM 629 CD GLN A 42 -5.604 4.632 -6.796 1.00 0.00 C ATOM 630 OE1 GLN A 42 -6.366 5.534 -7.145 1.00 0.00 O ATOM 631 NE2 GLN A 42 -4.559 4.844 -6.005 1.00 0.00 N ATOM 0 H GLN A 42 -2.871 1.910 -9.584 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.037 2.949 -7.010 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.492 3.590 -8.890 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.210 1.992 -8.912 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.811 3.121 -7.711 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.811 2.541 -6.395 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.954 4.067 -5.741 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.362 5.784 -5.662 1.00 0.00 H new ATOM 640 N LEU A 43 -3.768 1.245 -5.379 1.00 0.00 N ATOM 641 CA LEU A 43 -4.093 0.223 -4.390 1.00 0.00 C ATOM 642 C LEU A 43 -5.599 0.147 -4.162 1.00 0.00 C ATOM 643 O LEU A 43 -6.299 1.157 -4.225 1.00 0.00 O ATOM 644 CB LEU A 43 -3.379 0.518 -3.070 1.00 0.00 C ATOM 645 CG LEU A 43 -3.491 -0.560 -1.991 1.00 0.00 C ATOM 646 CD1 LEU A 43 -2.816 -1.844 -2.448 1.00 0.00 C ATOM 647 CD2 LEU A 43 -2.885 -0.072 -0.684 1.00 0.00 C ATOM 0 H LEU A 43 -3.447 2.128 -4.983 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.753 -0.740 -4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.323 0.685 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.774 1.450 -2.667 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.547 -0.769 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.906 -2.600 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.296 -2.203 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.762 -1.650 -2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.974 -0.852 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.833 0.166 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.414 0.820 -0.348 1.00 0.00 H new ATOM 659 N ALA A 44 -6.091 -1.058 -3.893 1.00 0.00 N ATOM 660 CA ALA A 44 -7.514 -1.265 -3.650 1.00 0.00 C ATOM 661 C ALA A 44 -7.744 -2.002 -2.335 1.00 0.00 C ATOM 662 O ALA A 44 -6.889 -2.760 -1.879 1.00 0.00 O ATOM 663 CB ALA A 44 -8.139 -2.034 -4.804 1.00 0.00 C ATOM 0 H ALA A 44 -5.526 -1.905 -3.838 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.992 -0.288 -3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.201 -2.182 -4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.014 -1.469 -5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.650 -3.003 -4.903 1.00 0.00 H new ATOM 669 N GLU A 45 -8.905 -1.773 -1.729 1.00 0.00 N ATOM 670 CA GLU A 45 -9.247 -2.414 -0.465 1.00 0.00 C ATOM 671 C GLU A 45 -10.124 -3.641 -0.697 1.00 0.00 C ATOM 672 O GLU A 45 -10.781 -3.761 -1.730 1.00 0.00 O ATOM 673 CB GLU A 45 -9.966 -1.426 0.456 1.00 0.00 C ATOM 674 CG GLU A 45 -9.522 0.015 0.269 1.00 0.00 C ATOM 675 CD GLU A 45 -10.543 1.011 0.781 1.00 0.00 C ATOM 676 OE1 GLU A 45 -11.075 0.800 1.891 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.810 2.003 0.071 1.00 0.00 O ATOM 0 H GLU A 45 -9.624 -1.148 -2.093 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.321 -2.736 0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.039 -1.492 0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.795 -1.718 1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.576 0.170 0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.338 0.200 -0.789 1.00 0.00 H new ATOM 684 N SER A 46 -10.127 -4.551 0.273 1.00 0.00 N ATOM 685 CA SER A 46 -10.919 -5.771 0.174 1.00 0.00 C ATOM 686 C SER A 46 -11.278 -6.300 1.559 1.00 0.00 C ATOM 687 O SER A 46 -10.892 -5.723 2.575 1.00 0.00 O ATOM 688 CB SER A 46 -10.154 -6.839 -0.610 1.00 0.00 C ATOM 689 OG SER A 46 -11.042 -7.762 -1.215 1.00 0.00 O ATOM 0 H SER A 46 -9.590 -4.466 1.136 1.00 0.00 H new ATOM 0 HA SER A 46 -11.842 -5.533 -0.355 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.542 -6.363 -1.376 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.474 -7.368 0.058 1.00 0.00 H new ATOM 0 HG SER A 46 -10.528 -8.433 -1.711 1.00 0.00 H new ATOM 695 N ASN A 47 -12.020 -7.402 1.591 1.00 0.00 N ATOM 696 CA ASN A 47 -12.432 -8.010 2.851 1.00 0.00 C ATOM 697 C ASN A 47 -11.309 -7.942 3.881 1.00 0.00 C ATOM 698 O ASN A 47 -11.557 -7.776 5.075 1.00 0.00 O ATOM 699 CB ASN A 47 -12.847 -9.465 2.627 1.00 0.00 C ATOM 700 CG ASN A 47 -13.932 -9.602 1.577 1.00 0.00 C ATOM 701 OD1 ASN A 47 -13.651 -9.638 0.379 1.00 0.00 O ATOM 702 ND2 ASN A 47 -15.181 -9.679 2.022 1.00 0.00 N ATOM 0 H ASN A 47 -12.348 -7.892 0.759 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.286 -7.451 3.234 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.976 -10.046 2.323 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -13.200 -9.888 3.567 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -15.953 -9.772 1.362 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -15.368 -9.645 3.024 1.00 0.00 H new ATOM 709 N ARG A 48 -10.073 -8.072 3.409 1.00 0.00 N ATOM 710 CA ARG A 48 -8.911 -8.026 4.289 1.00 0.00 C ATOM 711 C ARG A 48 -8.245 -6.654 4.240 1.00 0.00 C ATOM 712 O ARG A 48 -8.042 -6.013 5.271 1.00 0.00 O ATOM 713 CB ARG A 48 -7.904 -9.108 3.895 1.00 0.00 C ATOM 714 CG ARG A 48 -8.420 -10.523 4.097 1.00 0.00 C ATOM 715 CD ARG A 48 -7.488 -11.550 3.473 1.00 0.00 C ATOM 716 NE ARG A 48 -7.411 -11.409 2.021 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.859 -12.316 1.223 1.00 0.00 C ATOM 718 NH1 ARG A 48 -6.337 -13.423 1.733 1.00 0.00 N ATOM 719 NH2 ARG A 48 -6.827 -12.116 -0.089 1.00 0.00 N ATOM 0 H ARG A 48 -9.851 -8.210 2.423 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.251 -8.209 5.308 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.632 -8.975 2.848 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.994 -8.975 4.480 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.524 -10.725 5.163 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.413 -10.616 3.657 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.491 -11.442 3.901 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.835 -12.553 3.722 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.803 -10.568 1.597 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.359 -13.580 2.741 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.914 -14.118 1.118 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.227 -11.265 -0.485 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.403 -12.813 -0.701 1.00 0.00 H new ATOM 733 N THR A 49 -7.907 -6.209 3.033 1.00 0.00 N ATOM 734 CA THR A 49 -7.263 -4.914 2.849 1.00 0.00 C ATOM 735 C THR A 49 -8.198 -3.775 3.238 1.00 0.00 C ATOM 736 O THR A 49 -9.389 -3.803 2.928 1.00 0.00 O ATOM 737 CB THR A 49 -6.809 -4.715 1.391 1.00 0.00 C ATOM 738 OG1 THR A 49 -6.162 -5.900 0.913 1.00 0.00 O ATOM 739 CG2 THR A 49 -5.860 -3.532 1.276 1.00 0.00 C ATOM 0 H THR A 49 -8.069 -6.726 2.169 1.00 0.00 H new ATOM 0 HA THR A 49 -6.388 -4.901 3.499 1.00 0.00 H new ATOM 0 HB THR A 49 -7.691 -4.513 0.784 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.878 -5.766 -0.015 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.553 -3.411 0.237 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.365 -2.627 1.613 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.981 -3.709 1.896 1.00 0.00 H new ATOM 747 N ARG A 50 -7.651 -2.773 3.918 1.00 0.00 N ATOM 748 CA ARG A 50 -8.437 -1.624 4.350 1.00 0.00 C ATOM 749 C ARG A 50 -7.618 -0.340 4.260 1.00 0.00 C ATOM 750 O ARG A 50 -6.632 -0.169 4.977 1.00 0.00 O ATOM 751 CB ARG A 50 -8.930 -1.826 5.784 1.00 0.00 C ATOM 752 CG ARG A 50 -9.539 -0.577 6.401 1.00 0.00 C ATOM 753 CD ARG A 50 -10.839 -0.192 5.712 1.00 0.00 C ATOM 754 NE ARG A 50 -11.584 0.809 6.470 1.00 0.00 N ATOM 755 CZ ARG A 50 -12.177 0.560 7.632 1.00 0.00 C ATOM 756 NH1 ARG A 50 -12.110 -0.651 8.168 1.00 0.00 N ATOM 757 NH2 ARG A 50 -12.837 1.524 8.262 1.00 0.00 N ATOM 0 H ARG A 50 -6.666 -2.734 4.182 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.297 -1.534 3.686 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.671 -2.625 5.795 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.096 -2.157 6.403 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.725 -0.747 7.461 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.830 0.248 6.330 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.621 0.195 4.717 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.456 -1.081 5.580 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.653 1.751 6.086 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.602 -1.394 7.688 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.566 -0.840 9.061 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.889 2.457 7.854 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.292 1.331 9.154 1.00 0.00 H new ATOM 771 N ILE A 51 -8.032 0.559 3.373 1.00 0.00 N ATOM 772 CA ILE A 51 -7.337 1.827 3.189 1.00 0.00 C ATOM 773 C ILE A 51 -8.121 2.979 3.808 1.00 0.00 C ATOM 774 O ILE A 51 -9.106 3.451 3.239 1.00 0.00 O ATOM 775 CB ILE A 51 -7.098 2.127 1.697 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.269 1.011 1.057 1.00 0.00 C ATOM 777 CG2 ILE A 51 -6.404 3.471 1.531 1.00 0.00 C ATOM 778 CD1 ILE A 51 -6.388 0.959 -0.450 1.00 0.00 C ATOM 0 H ILE A 51 -8.845 0.433 2.771 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.374 1.734 3.692 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.063 2.174 1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.222 1.147 1.326 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.583 0.053 1.472 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.242 3.668 0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.028 4.258 1.956 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.444 3.451 2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.774 0.145 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.429 0.792 -0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.047 1.903 -0.875 1.00 0.00 H new ATOM 790 N THR A 52 -7.677 3.429 4.977 1.00 0.00 N ATOM 791 CA THR A 52 -8.336 4.527 5.674 1.00 0.00 C ATOM 792 C THR A 52 -7.861 5.876 5.149 1.00 0.00 C ATOM 793 O THR A 52 -8.111 6.914 5.759 1.00 0.00 O ATOM 794 CB THR A 52 -8.083 4.461 7.192 1.00 0.00 C ATOM 795 OG1 THR A 52 -6.679 4.545 7.458 1.00 0.00 O ATOM 796 CG2 THR A 52 -8.639 3.172 7.778 1.00 0.00 C ATOM 0 H THR A 52 -6.863 3.050 5.461 1.00 0.00 H new ATOM 0 HA THR A 52 -9.405 4.424 5.486 1.00 0.00 H new ATOM 0 HB THR A 52 -8.592 5.303 7.660 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.217 3.805 7.012 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.448 3.148 8.851 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.713 3.125 7.599 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.154 2.318 7.304 1.00 0.00 H new ATOM 804 N GLY A 53 -7.172 5.854 4.011 1.00 0.00 N ATOM 805 CA GLY A 53 -6.673 7.083 3.422 1.00 0.00 C ATOM 806 C GLY A 53 -5.172 7.230 3.573 1.00 0.00 C ATOM 807 O GLY A 53 -4.446 7.290 2.581 1.00 0.00 O ATOM 0 H GLY A 53 -6.951 5.007 3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.933 7.107 2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.167 7.934 3.891 1.00 0.00 H new ATOM 811 N GLU A 54 -4.706 7.290 4.817 1.00 0.00 N ATOM 812 CA GLU A 54 -3.282 7.434 5.092 1.00 0.00 C ATOM 813 C GLU A 54 -2.744 6.209 5.827 1.00 0.00 C ATOM 814 O GLU A 54 -1.550 6.118 6.110 1.00 0.00 O ATOM 815 CB GLU A 54 -3.024 8.693 5.922 1.00 0.00 C ATOM 816 CG GLU A 54 -3.109 8.463 7.421 1.00 0.00 C ATOM 817 CD GLU A 54 -3.293 9.751 8.200 1.00 0.00 C ATOM 818 OE1 GLU A 54 -2.364 10.585 8.192 1.00 0.00 O ATOM 819 OE2 GLU A 54 -4.364 9.924 8.818 1.00 0.00 O ATOM 0 H GLU A 54 -5.294 7.241 5.649 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.762 7.523 4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.035 9.082 5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.746 9.459 5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.941 7.792 7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.201 7.964 7.760 1.00 0.00 H new ATOM 826 N GLU A 55 -3.634 5.270 6.132 1.00 0.00 N ATOM 827 CA GLU A 55 -3.249 4.052 6.835 1.00 0.00 C ATOM 828 C GLU A 55 -3.904 2.828 6.201 1.00 0.00 C ATOM 829 O GLU A 55 -5.123 2.780 6.032 1.00 0.00 O ATOM 830 CB GLU A 55 -3.637 4.145 8.312 1.00 0.00 C ATOM 831 CG GLU A 55 -2.571 4.790 9.182 1.00 0.00 C ATOM 832 CD GLU A 55 -2.940 4.790 10.653 1.00 0.00 C ATOM 833 OE1 GLU A 55 -4.092 5.149 10.975 1.00 0.00 O ATOM 834 OE2 GLU A 55 -2.077 4.432 11.482 1.00 0.00 O ATOM 0 H GLU A 55 -4.626 5.329 5.903 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.167 3.944 6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.561 4.716 8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.844 3.143 8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.628 4.260 9.048 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.410 5.816 8.852 1.00 0.00 H new ATOM 841 N VAL A 56 -3.086 1.840 5.852 1.00 0.00 N ATOM 842 CA VAL A 56 -3.585 0.616 5.238 1.00 0.00 C ATOM 843 C VAL A 56 -3.577 -0.540 6.232 1.00 0.00 C ATOM 844 O VAL A 56 -2.695 -0.632 7.085 1.00 0.00 O ATOM 845 CB VAL A 56 -2.748 0.225 4.006 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.189 -1.127 3.467 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.850 1.296 2.931 1.00 0.00 C ATOM 0 H VAL A 56 -2.075 1.864 5.984 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.610 0.814 4.924 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.704 0.145 4.309 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.586 -1.386 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.058 -1.886 4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.239 -1.079 3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.252 1.003 2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.891 1.411 2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.480 2.243 3.324 1.00 0.00 H new ATOM 857 N GLU A 57 -4.566 -1.421 6.115 1.00 0.00 N ATOM 858 CA GLU A 57 -4.673 -2.571 7.005 1.00 0.00 C ATOM 859 C GLU A 57 -5.204 -3.790 6.256 1.00 0.00 C ATOM 860 O GLU A 57 -6.316 -3.773 5.728 1.00 0.00 O ATOM 861 CB GLU A 57 -5.589 -2.247 8.187 1.00 0.00 C ATOM 862 CG GLU A 57 -5.672 -3.362 9.216 1.00 0.00 C ATOM 863 CD GLU A 57 -6.712 -3.091 10.286 1.00 0.00 C ATOM 864 OE1 GLU A 57 -7.889 -3.450 10.073 1.00 0.00 O ATOM 865 OE2 GLU A 57 -6.349 -2.521 11.336 1.00 0.00 O ATOM 0 H GLU A 57 -5.304 -1.360 5.413 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.676 -2.801 7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.232 -1.340 8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.590 -2.034 7.812 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.910 -4.299 8.713 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.697 -3.491 9.686 1.00 0.00 H new ATOM 872 N VAL A 58 -4.399 -4.848 6.213 1.00 0.00 N ATOM 873 CA VAL A 58 -4.787 -6.076 5.530 1.00 0.00 C ATOM 874 C VAL A 58 -4.779 -7.263 6.487 1.00 0.00 C ATOM 875 O VAL A 58 -3.723 -7.696 6.945 1.00 0.00 O ATOM 876 CB VAL A 58 -3.850 -6.379 4.346 1.00 0.00 C ATOM 877 CG1 VAL A 58 -4.438 -7.470 3.464 1.00 0.00 C ATOM 878 CG2 VAL A 58 -3.584 -5.117 3.540 1.00 0.00 C ATOM 0 H VAL A 58 -3.475 -4.879 6.643 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.799 -5.923 5.154 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.900 -6.738 4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.762 -7.670 2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.571 -8.379 4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.403 -7.144 3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.920 -5.350 2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.526 -4.726 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.115 -4.369 4.179 1.00 0.00 H new ATOM 888 N GLN A 59 -5.965 -7.785 6.783 1.00 0.00 N ATOM 889 CA GLN A 59 -6.095 -8.922 7.686 1.00 0.00 C ATOM 890 C GLN A 59 -5.659 -10.213 7.001 1.00 0.00 C ATOM 891 O GLN A 59 -5.882 -10.399 5.805 1.00 0.00 O ATOM 892 CB GLN A 59 -7.539 -9.052 8.172 1.00 0.00 C ATOM 893 CG GLN A 59 -8.015 -7.862 8.990 1.00 0.00 C ATOM 894 CD GLN A 59 -9.395 -8.074 9.581 1.00 0.00 C ATOM 895 OE1 GLN A 59 -9.734 -9.175 10.017 1.00 0.00 O ATOM 896 NE2 GLN A 59 -10.200 -7.018 9.600 1.00 0.00 N ATOM 0 H GLN A 59 -6.849 -7.439 6.411 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.445 -8.749 8.544 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.194 -9.175 7.310 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.631 -9.956 8.774 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.305 -7.672 9.795 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.027 -6.974 8.359 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.878 -6.124 9.228 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.140 -7.100 9.987 1.00 0.00 H new ATOM 905 N ASP A 60 -5.036 -11.102 7.767 1.00 0.00 N ATOM 906 CA ASP A 60 -4.568 -12.376 7.234 1.00 0.00 C ATOM 907 C ASP A 60 -3.701 -12.163 5.997 1.00 0.00 C ATOM 908 O ASP A 60 -3.846 -12.866 4.997 1.00 0.00 O ATOM 909 CB ASP A 60 -5.757 -13.276 6.890 1.00 0.00 C ATOM 910 CG ASP A 60 -5.420 -14.750 7.008 1.00 0.00 C ATOM 911 OD1 ASP A 60 -5.318 -15.246 8.150 1.00 0.00 O ATOM 912 OD2 ASP A 60 -5.260 -15.407 5.959 1.00 0.00 O ATOM 0 H ASP A 60 -4.843 -10.964 8.759 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.963 -12.862 8.000 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.590 -13.042 7.553 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.089 -13.062 5.874 1.00 0.00 H new ATOM 917 N SER A 61 -2.801 -11.188 6.072 1.00 0.00 N ATOM 918 CA SER A 61 -1.914 -10.879 4.957 1.00 0.00 C ATOM 919 C SER A 61 -1.398 -12.157 4.303 1.00 0.00 C ATOM 920 O SER A 61 -1.489 -13.243 4.877 1.00 0.00 O ATOM 921 CB SER A 61 -0.737 -10.026 5.435 1.00 0.00 C ATOM 922 OG SER A 61 0.195 -10.807 6.163 1.00 0.00 O ATOM 0 H SER A 61 -2.667 -10.598 6.893 1.00 0.00 H new ATOM 0 HA SER A 61 -2.484 -10.317 4.217 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.243 -9.569 4.578 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.104 -9.213 6.062 1.00 0.00 H new ATOM 0 HG SER A 61 0.939 -10.240 6.456 1.00 0.00 H new ATOM 928 N VAL A 62 -0.855 -12.020 3.098 1.00 0.00 N ATOM 929 CA VAL A 62 -0.323 -13.162 2.364 1.00 0.00 C ATOM 930 C VAL A 62 0.913 -12.772 1.561 1.00 0.00 C ATOM 931 O VAL A 62 1.159 -11.598 1.285 1.00 0.00 O ATOM 932 CB VAL A 62 -1.375 -13.756 1.410 1.00 0.00 C ATOM 933 CG1 VAL A 62 -2.189 -14.832 2.114 1.00 0.00 C ATOM 934 CG2 VAL A 62 -2.281 -12.661 0.868 1.00 0.00 C ATOM 0 H VAL A 62 -0.772 -11.129 2.609 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.049 -13.914 3.104 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.857 -14.218 0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.927 -15.240 1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.526 -15.630 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.698 -14.398 2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.019 -13.099 0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.792 -12.169 1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.683 -11.930 0.324 1.00 0.00 H new ATOM 944 N PRO A 63 1.711 -13.780 1.176 1.00 0.00 N ATOM 945 CA PRO A 63 2.935 -13.567 0.398 1.00 0.00 C ATOM 946 C PRO A 63 2.643 -13.122 -1.031 1.00 0.00 C ATOM 947 O PRO A 63 3.557 -12.958 -1.839 1.00 0.00 O ATOM 948 CB PRO A 63 3.602 -14.945 0.403 1.00 0.00 C ATOM 949 CG PRO A 63 2.482 -15.907 0.599 1.00 0.00 C ATOM 950 CD PRO A 63 1.479 -15.204 1.471 1.00 0.00 C ATOM 0 HA PRO A 63 3.555 -12.776 0.821 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.127 -15.134 -0.533 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.338 -15.026 1.203 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.039 -16.189 -0.356 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.834 -16.824 1.071 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.459 -15.503 1.232 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.637 -15.427 2.526 1.00 0.00 H new ATOM 958 N ALA A 64 1.364 -12.928 -1.336 1.00 0.00 N ATOM 959 CA ALA A 64 0.953 -12.499 -2.667 1.00 0.00 C ATOM 960 C ALA A 64 0.536 -11.032 -2.667 1.00 0.00 C ATOM 961 O ALA A 64 0.482 -10.392 -3.717 1.00 0.00 O ATOM 962 CB ALA A 64 -0.184 -13.373 -3.175 1.00 0.00 C ATOM 0 H ALA A 64 0.595 -13.061 -0.679 1.00 0.00 H new ATOM 0 HA ALA A 64 1.807 -12.607 -3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.481 -13.042 -4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.148 -14.410 -3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.034 -13.294 -2.497 1.00 0.00 H new ATOM 968 N ASP A 65 0.242 -10.505 -1.483 1.00 0.00 N ATOM 969 CA ASP A 65 -0.170 -9.113 -1.346 1.00 0.00 C ATOM 970 C ASP A 65 1.040 -8.206 -1.145 1.00 0.00 C ATOM 971 O ASP A 65 0.967 -6.998 -1.373 1.00 0.00 O ATOM 972 CB ASP A 65 -1.139 -8.959 -0.173 1.00 0.00 C ATOM 973 CG ASP A 65 -2.384 -9.809 -0.335 1.00 0.00 C ATOM 974 OD1 ASP A 65 -2.725 -10.148 -1.488 1.00 0.00 O ATOM 975 OD2 ASP A 65 -3.018 -10.135 0.690 1.00 0.00 O ATOM 0 H ASP A 65 0.281 -11.021 -0.604 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.675 -8.817 -2.265 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.632 -9.235 0.752 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.427 -7.912 -0.079 1.00 0.00 H new ATOM 980 N SER A 66 2.151 -8.796 -0.716 1.00 0.00 N ATOM 981 CA SER A 66 3.375 -8.040 -0.479 1.00 0.00 C ATOM 982 C SER A 66 3.720 -7.173 -1.686 1.00 0.00 C ATOM 983 O SER A 66 3.042 -7.218 -2.712 1.00 0.00 O ATOM 984 CB SER A 66 4.535 -8.990 -0.171 1.00 0.00 C ATOM 985 OG SER A 66 4.123 -10.033 0.695 1.00 0.00 O ATOM 0 H SER A 66 2.229 -9.795 -0.525 1.00 0.00 H new ATOM 0 HA SER A 66 3.210 -7.389 0.379 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.919 -9.414 -1.099 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.353 -8.434 0.287 1.00 0.00 H new ATOM 0 HG SER A 66 4.533 -10.876 0.410 1.00 0.00 H new ATOM 991 N GLY A 67 4.782 -6.383 -1.556 1.00 0.00 N ATOM 992 CA GLY A 67 5.200 -5.516 -2.642 1.00 0.00 C ATOM 993 C GLY A 67 5.753 -4.194 -2.149 1.00 0.00 C ATOM 994 O GLY A 67 6.217 -4.092 -1.012 1.00 0.00 O ATOM 0 H GLY A 67 5.360 -6.328 -0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.959 -6.024 -3.237 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.352 -5.329 -3.300 1.00 0.00 H new ATOM 998 N LEU A 68 5.707 -3.179 -3.004 1.00 0.00 N ATOM 999 CA LEU A 68 6.210 -1.856 -2.650 1.00 0.00 C ATOM 1000 C LEU A 68 5.089 -0.822 -2.678 1.00 0.00 C ATOM 1001 O LEU A 68 4.767 -0.269 -3.729 1.00 0.00 O ATOM 1002 CB LEU A 68 7.327 -1.440 -3.608 1.00 0.00 C ATOM 1003 CG LEU A 68 7.896 -0.035 -3.407 1.00 0.00 C ATOM 1004 CD1 LEU A 68 8.666 0.047 -2.098 1.00 0.00 C ATOM 1005 CD2 LEU A 68 8.787 0.353 -4.578 1.00 0.00 C ATOM 0 H LEU A 68 5.326 -3.246 -3.948 1.00 0.00 H new ATOM 0 HA LEU A 68 6.609 -1.905 -1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.143 -2.157 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.950 -1.515 -4.628 1.00 0.00 H new ATOM 0 HG LEU A 68 7.065 0.669 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.064 1.054 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.999 -0.186 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.488 -0.668 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.183 1.356 -4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.612 -0.355 -4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.205 0.336 -5.499 1.00 0.00 H new ATOM 1017 N TYR A 69 4.500 -0.564 -1.515 1.00 0.00 N ATOM 1018 CA TYR A 69 3.415 0.404 -1.406 1.00 0.00 C ATOM 1019 C TYR A 69 3.952 1.831 -1.450 1.00 0.00 C ATOM 1020 O TYR A 69 4.978 2.139 -0.845 1.00 0.00 O ATOM 1021 CB TYR A 69 2.633 0.180 -0.111 1.00 0.00 C ATOM 1022 CG TYR A 69 1.937 -1.161 -0.047 1.00 0.00 C ATOM 1023 CD1 TYR A 69 2.651 -2.324 0.211 1.00 0.00 C ATOM 1024 CD2 TYR A 69 0.566 -1.264 -0.243 1.00 0.00 C ATOM 1025 CE1 TYR A 69 2.020 -3.551 0.270 1.00 0.00 C ATOM 1026 CE2 TYR A 69 -0.075 -2.486 -0.185 1.00 0.00 C ATOM 1027 CZ TYR A 69 0.657 -3.627 0.071 1.00 0.00 C ATOM 1028 OH TYR A 69 0.024 -4.848 0.130 1.00 0.00 O ATOM 0 H TYR A 69 4.756 -1.012 -0.635 1.00 0.00 H new ATOM 0 HA TYR A 69 2.747 0.261 -2.255 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.315 0.266 0.735 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.890 0.971 -0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.718 -2.268 0.368 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.009 -0.372 -0.444 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.590 -4.446 0.471 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.142 -2.548 -0.339 1.00 0.00 H new ATOM 0 HH TYR A 69 0.494 -5.488 -0.445 1.00 0.00 H new ATOM 1038 N ALA A 70 3.249 2.699 -2.170 1.00 0.00 N ATOM 1039 CA ALA A 70 3.651 4.094 -2.292 1.00 0.00 C ATOM 1040 C ALA A 70 2.452 5.026 -2.155 1.00 0.00 C ATOM 1041 O ALA A 70 1.524 4.984 -2.964 1.00 0.00 O ATOM 1042 CB ALA A 70 4.354 4.327 -3.621 1.00 0.00 C ATOM 0 H ALA A 70 2.397 2.460 -2.678 1.00 0.00 H new ATOM 0 HA ALA A 70 4.345 4.317 -1.482 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.649 5.374 -3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.240 3.695 -3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.677 4.079 -4.439 1.00 0.00 H new ATOM 1048 N CYS A 71 2.475 5.866 -1.125 1.00 0.00 N ATOM 1049 CA CYS A 71 1.389 6.807 -0.881 1.00 0.00 C ATOM 1050 C CYS A 71 1.740 8.193 -1.415 1.00 0.00 C ATOM 1051 O CYS A 71 2.782 8.755 -1.077 1.00 0.00 O ATOM 1052 CB CYS A 71 1.083 6.888 0.616 1.00 0.00 C ATOM 1053 SG CYS A 71 2.175 8.017 1.538 1.00 0.00 S ATOM 0 H CYS A 71 3.235 5.914 -0.446 1.00 0.00 H new ATOM 0 HA CYS A 71 0.505 6.447 -1.407 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.050 7.210 0.748 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.163 5.890 1.047 1.00 0.00 H new ATOM 1058 N VAL A 72 0.862 8.739 -2.251 1.00 0.00 N ATOM 1059 CA VAL A 72 1.078 10.059 -2.831 1.00 0.00 C ATOM 1060 C VAL A 72 0.036 11.054 -2.333 1.00 0.00 C ATOM 1061 O VAL A 72 -1.160 10.894 -2.579 1.00 0.00 O ATOM 1062 CB VAL A 72 1.032 10.010 -4.370 1.00 0.00 C ATOM 1063 CG1 VAL A 72 1.465 11.344 -4.959 1.00 0.00 C ATOM 1064 CG2 VAL A 72 1.904 8.879 -4.893 1.00 0.00 C ATOM 0 H VAL A 72 -0.005 8.287 -2.541 1.00 0.00 H new ATOM 0 HA VAL A 72 2.069 10.386 -2.515 1.00 0.00 H new ATOM 0 HB VAL A 72 0.005 9.819 -4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.426 11.291 -6.047 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.796 12.130 -4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.484 11.568 -4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.860 8.859 -5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.934 9.037 -4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.544 7.929 -4.498 1.00 0.00 H new ATOM 1074 N THR A 73 0.498 12.086 -1.633 1.00 0.00 N ATOM 1075 CA THR A 73 -0.394 13.108 -1.100 1.00 0.00 C ATOM 1076 C THR A 73 -0.315 14.389 -1.922 1.00 0.00 C ATOM 1077 O THR A 73 0.771 14.903 -2.185 1.00 0.00 O ATOM 1078 CB THR A 73 -0.061 13.433 0.369 1.00 0.00 C ATOM 1079 OG1 THR A 73 1.196 14.114 0.447 1.00 0.00 O ATOM 1080 CG2 THR A 73 -0.009 12.164 1.206 1.00 0.00 C ATOM 0 H THR A 73 1.485 12.236 -1.422 1.00 0.00 H new ATOM 0 HA THR A 73 -1.405 12.705 -1.155 1.00 0.00 H new ATOM 0 HB THR A 73 -0.848 14.077 0.763 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.429 14.472 -0.435 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.228 12.419 2.239 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.977 11.663 1.168 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.759 11.499 0.811 1.00 0.00 H new ATOM 1088 N SER A 74 -1.474 14.900 -2.326 1.00 0.00 N ATOM 1089 CA SER A 74 -1.536 16.120 -3.121 1.00 0.00 C ATOM 1090 C SER A 74 -1.632 17.350 -2.224 1.00 0.00 C ATOM 1091 O SER A 74 -2.554 17.472 -1.417 1.00 0.00 O ATOM 1092 CB SER A 74 -2.734 16.074 -4.072 1.00 0.00 C ATOM 1093 OG SER A 74 -2.641 14.971 -4.957 1.00 0.00 O ATOM 0 H SER A 74 -2.383 14.487 -2.115 1.00 0.00 H new ATOM 0 HA SER A 74 -0.619 16.189 -3.706 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.657 16.005 -3.496 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.784 17.000 -4.644 1.00 0.00 H new ATOM 0 HG SER A 74 -3.419 14.963 -5.553 1.00 0.00 H new ATOM 1099 N SER A 75 -0.673 18.258 -2.371 1.00 0.00 N ATOM 1100 CA SER A 75 -0.646 19.477 -1.571 1.00 0.00 C ATOM 1101 C SER A 75 -0.307 20.687 -2.437 1.00 0.00 C ATOM 1102 O SER A 75 0.362 20.579 -3.465 1.00 0.00 O ATOM 1103 CB SER A 75 0.372 19.346 -0.437 1.00 0.00 C ATOM 1104 OG SER A 75 1.694 19.282 -0.944 1.00 0.00 O ATOM 0 H SER A 75 0.095 18.173 -3.036 1.00 0.00 H new ATOM 0 HA SER A 75 -1.638 19.624 -1.143 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.279 20.196 0.239 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.159 18.450 0.146 1.00 0.00 H new ATOM 0 HG SER A 75 1.903 18.358 -1.196 1.00 0.00 H new ATOM 1110 N PRO A 76 -0.780 21.868 -2.013 1.00 0.00 N ATOM 1111 CA PRO A 76 -0.540 23.122 -2.733 1.00 0.00 C ATOM 1112 C PRO A 76 0.916 23.566 -2.655 1.00 0.00 C ATOM 1113 O PRO A 76 1.293 24.593 -3.219 1.00 0.00 O ATOM 1114 CB PRO A 76 -1.445 24.125 -2.012 1.00 0.00 C ATOM 1115 CG PRO A 76 -1.611 23.566 -0.640 1.00 0.00 C ATOM 1116 CD PRO A 76 -1.585 22.071 -0.796 1.00 0.00 C ATOM 0 HA PRO A 76 -0.751 23.027 -3.798 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.994 25.117 -1.984 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.405 24.226 -2.517 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.811 23.904 0.018 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -2.550 23.896 -0.195 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.135 21.585 0.069 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.589 21.661 -0.905 1.00 0.00 H new ATOM 1124 N SER A 77 1.731 22.786 -1.952 1.00 0.00 N ATOM 1125 CA SER A 77 3.146 23.101 -1.797 1.00 0.00 C ATOM 1126 C SER A 77 4.015 22.059 -2.495 1.00 0.00 C ATOM 1127 O SER A 77 5.233 22.207 -2.583 1.00 0.00 O ATOM 1128 CB SER A 77 3.514 23.178 -0.314 1.00 0.00 C ATOM 1129 OG SER A 77 4.827 23.682 -0.140 1.00 0.00 O ATOM 0 H SER A 77 1.435 21.931 -1.481 1.00 0.00 H new ATOM 0 HA SER A 77 3.329 24.070 -2.260 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.803 23.819 0.208 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.439 22.187 0.134 1.00 0.00 H new ATOM 0 HG SER A 77 5.397 23.370 -0.874 1.00 0.00 H new ATOM 1135 N GLY A 78 3.377 21.002 -2.990 1.00 0.00 N ATOM 1136 CA GLY A 78 4.105 19.949 -3.673 1.00 0.00 C ATOM 1137 C GLY A 78 3.680 18.565 -3.225 1.00 0.00 C ATOM 1138 O GLY A 78 3.648 18.275 -2.029 1.00 0.00 O ATOM 0 H GLY A 78 2.369 20.857 -2.930 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.950 20.043 -4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.173 20.074 -3.493 1.00 0.00 H new ATOM 1142 N SER A 79 3.351 17.708 -4.186 1.00 0.00 N ATOM 1143 CA SER A 79 2.920 16.348 -3.884 1.00 0.00 C ATOM 1144 C SER A 79 4.085 15.514 -3.359 1.00 0.00 C ATOM 1145 O SER A 79 5.163 15.490 -3.952 1.00 0.00 O ATOM 1146 CB SER A 79 2.328 15.689 -5.131 1.00 0.00 C ATOM 1147 OG SER A 79 3.008 16.108 -6.301 1.00 0.00 O ATOM 0 H SER A 79 3.375 17.931 -5.181 1.00 0.00 H new ATOM 0 HA SER A 79 2.154 16.399 -3.111 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.392 14.605 -5.038 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.270 15.940 -5.212 1.00 0.00 H new ATOM 0 HG SER A 79 2.612 15.671 -7.084 1.00 0.00 H new ATOM 1153 N ASP A 80 3.858 14.831 -2.242 1.00 0.00 N ATOM 1154 CA ASP A 80 4.886 13.993 -1.635 1.00 0.00 C ATOM 1155 C ASP A 80 4.650 12.522 -1.960 1.00 0.00 C ATOM 1156 O ASP A 80 3.637 12.161 -2.560 1.00 0.00 O ATOM 1157 CB ASP A 80 4.911 14.196 -0.120 1.00 0.00 C ATOM 1158 CG ASP A 80 6.299 14.024 0.465 1.00 0.00 C ATOM 1159 OD1 ASP A 80 7.175 14.864 0.171 1.00 0.00 O ATOM 1160 OD2 ASP A 80 6.511 13.048 1.215 1.00 0.00 O ATOM 0 H ASP A 80 2.971 14.841 -1.738 1.00 0.00 H new ATOM 0 HA ASP A 80 5.850 14.287 -2.049 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.542 15.194 0.116 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.231 13.485 0.350 1.00 0.00 H new ATOM 1165 N THR A 81 5.593 11.674 -1.560 1.00 0.00 N ATOM 1166 CA THR A 81 5.489 10.242 -1.810 1.00 0.00 C ATOM 1167 C THR A 81 6.218 9.442 -0.737 1.00 0.00 C ATOM 1168 O THR A 81 7.340 9.776 -0.353 1.00 0.00 O ATOM 1169 CB THR A 81 6.063 9.869 -3.190 1.00 0.00 C ATOM 1170 OG1 THR A 81 5.586 10.785 -4.183 1.00 0.00 O ATOM 1171 CG2 THR A 81 5.672 8.450 -3.574 1.00 0.00 C ATOM 0 H THR A 81 6.437 11.955 -1.061 1.00 0.00 H new ATOM 0 HA THR A 81 4.428 9.994 -1.787 1.00 0.00 H new ATOM 0 HB THR A 81 7.150 9.927 -3.134 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.957 10.542 -5.057 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.089 8.210 -4.552 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.061 7.752 -2.832 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.586 8.370 -3.613 1.00 0.00 H new ATOM 1179 N THR A 82 5.575 8.383 -0.255 1.00 0.00 N ATOM 1180 CA THR A 82 6.162 7.535 0.775 1.00 0.00 C ATOM 1181 C THR A 82 6.081 6.063 0.387 1.00 0.00 C ATOM 1182 O THR A 82 4.992 5.513 0.223 1.00 0.00 O ATOM 1183 CB THR A 82 5.464 7.736 2.133 1.00 0.00 C ATOM 1184 OG1 THR A 82 5.138 9.118 2.317 1.00 0.00 O ATOM 1185 CG2 THR A 82 6.352 7.263 3.273 1.00 0.00 C ATOM 0 H THR A 82 4.647 8.092 -0.562 1.00 0.00 H new ATOM 0 HA THR A 82 7.208 7.827 0.866 1.00 0.00 H new ATOM 0 HB THR A 82 4.549 7.144 2.137 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.179 9.251 2.167 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.838 7.415 4.222 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.574 6.203 3.146 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.282 7.831 3.269 1.00 0.00 H new ATOM 1193 N TYR A 83 7.240 5.430 0.243 1.00 0.00 N ATOM 1194 CA TYR A 83 7.300 4.021 -0.127 1.00 0.00 C ATOM 1195 C TYR A 83 7.286 3.131 1.112 1.00 0.00 C ATOM 1196 O TYR A 83 7.609 3.575 2.214 1.00 0.00 O ATOM 1197 CB TYR A 83 8.556 3.742 -0.954 1.00 0.00 C ATOM 1198 CG TYR A 83 8.549 4.411 -2.310 1.00 0.00 C ATOM 1199 CD1 TYR A 83 8.884 5.753 -2.447 1.00 0.00 C ATOM 1200 CD2 TYR A 83 8.207 3.701 -3.455 1.00 0.00 C ATOM 1201 CE1 TYR A 83 8.877 6.368 -3.684 1.00 0.00 C ATOM 1202 CE2 TYR A 83 8.200 4.308 -4.696 1.00 0.00 C ATOM 1203 CZ TYR A 83 8.535 5.642 -4.805 1.00 0.00 C ATOM 1204 OH TYR A 83 8.529 6.251 -6.039 1.00 0.00 O ATOM 0 H TYR A 83 8.150 5.870 0.377 1.00 0.00 H new ATOM 0 HA TYR A 83 6.419 3.792 -0.727 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.430 4.079 -0.397 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.660 2.665 -1.090 1.00 0.00 H new ATOM 0 HD1 TYR A 83 9.154 6.325 -1.572 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.942 2.657 -3.373 1.00 0.00 H new ATOM 0 HE1 TYR A 83 9.138 7.412 -3.772 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.934 3.741 -5.576 1.00 0.00 H new ATOM 0 HH TYR A 83 8.267 5.601 -6.724 1.00 0.00 H new ATOM 1214 N PHE A 84 6.910 1.870 0.923 1.00 0.00 N ATOM 1215 CA PHE A 84 6.853 0.916 2.025 1.00 0.00 C ATOM 1216 C PHE A 84 7.110 -0.504 1.528 1.00 0.00 C ATOM 1217 O PHE A 84 6.258 -1.109 0.877 1.00 0.00 O ATOM 1218 CB PHE A 84 5.492 0.987 2.719 1.00 0.00 C ATOM 1219 CG PHE A 84 5.033 2.390 2.998 1.00 0.00 C ATOM 1220 CD1 PHE A 84 4.304 3.095 2.054 1.00 0.00 C ATOM 1221 CD2 PHE A 84 5.332 3.003 4.204 1.00 0.00 C ATOM 1222 CE1 PHE A 84 3.882 4.386 2.309 1.00 0.00 C ATOM 1223 CE2 PHE A 84 4.912 4.294 4.464 1.00 0.00 C ATOM 1224 CZ PHE A 84 4.185 4.986 3.515 1.00 0.00 C ATOM 0 H PHE A 84 6.640 1.485 0.018 1.00 0.00 H new ATOM 0 HA PHE A 84 7.632 1.178 2.741 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.749 0.487 2.097 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.543 0.437 3.658 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.063 2.631 1.109 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.900 2.466 4.949 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.315 4.926 1.565 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.152 4.761 5.408 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.854 5.994 3.716 1.00 0.00 H new ATOM 1234 N SER A 85 8.291 -1.028 1.839 1.00 0.00 N ATOM 1235 CA SER A 85 8.663 -2.375 1.421 1.00 0.00 C ATOM 1236 C SER A 85 8.048 -3.420 2.346 1.00 0.00 C ATOM 1237 O SER A 85 8.473 -3.581 3.491 1.00 0.00 O ATOM 1238 CB SER A 85 10.186 -2.524 1.406 1.00 0.00 C ATOM 1239 OG SER A 85 10.568 -3.872 1.622 1.00 0.00 O ATOM 0 H SER A 85 9.006 -0.541 2.379 1.00 0.00 H new ATOM 0 HA SER A 85 8.279 -2.536 0.414 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.579 -2.180 0.449 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.624 -1.890 2.177 1.00 0.00 H new ATOM 0 HG SER A 85 11.545 -3.942 1.606 1.00 0.00 H new ATOM 1245 N VAL A 86 7.043 -4.130 1.842 1.00 0.00 N ATOM 1246 CA VAL A 86 6.368 -5.161 2.621 1.00 0.00 C ATOM 1247 C VAL A 86 6.816 -6.554 2.193 1.00 0.00 C ATOM 1248 O VAL A 86 7.175 -6.774 1.037 1.00 0.00 O ATOM 1249 CB VAL A 86 4.838 -5.060 2.480 1.00 0.00 C ATOM 1250 CG1 VAL A 86 4.160 -6.247 3.148 1.00 0.00 C ATOM 1251 CG2 VAL A 86 4.335 -3.749 3.066 1.00 0.00 C ATOM 0 H VAL A 86 6.678 -4.010 0.897 1.00 0.00 H new ATOM 0 HA VAL A 86 6.640 -4.999 3.664 1.00 0.00 H new ATOM 0 HB VAL A 86 4.586 -5.078 1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.079 -6.158 3.038 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.498 -7.171 2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.417 -6.264 4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.252 -3.694 2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.597 -3.698 4.123 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.795 -2.914 2.538 1.00 0.00 H new ATOM 1261 N ASN A 87 6.792 -7.493 3.134 1.00 0.00 N ATOM 1262 CA ASN A 87 7.195 -8.866 2.854 1.00 0.00 C ATOM 1263 C ASN A 87 6.442 -9.847 3.748 1.00 0.00 C ATOM 1264 O ASN A 87 6.731 -9.966 4.939 1.00 0.00 O ATOM 1265 CB ASN A 87 8.703 -9.028 3.057 1.00 0.00 C ATOM 1266 CG ASN A 87 9.298 -10.086 2.149 1.00 0.00 C ATOM 1267 OD1 ASN A 87 9.525 -9.845 0.963 1.00 0.00 O ATOM 1268 ND2 ASN A 87 9.554 -11.265 2.702 1.00 0.00 N ATOM 0 H ASN A 87 6.498 -7.328 4.097 1.00 0.00 H new ATOM 0 HA ASN A 87 6.949 -9.086 1.815 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.196 -8.074 2.871 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.901 -9.292 4.096 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.955 -12.016 2.140 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.350 -11.420 3.689 1.00 0.00 H new ATOM 1275 N VAL A 88 5.475 -10.548 3.165 1.00 0.00 N ATOM 1276 CA VAL A 88 4.682 -11.520 3.907 1.00 0.00 C ATOM 1277 C VAL A 88 5.163 -12.941 3.640 1.00 0.00 C ATOM 1278 O VAL A 88 5.109 -13.424 2.509 1.00 0.00 O ATOM 1279 CB VAL A 88 3.188 -11.419 3.545 1.00 0.00 C ATOM 1280 CG1 VAL A 88 2.368 -12.385 4.386 1.00 0.00 C ATOM 1281 CG2 VAL A 88 2.692 -9.992 3.723 1.00 0.00 C ATOM 0 H VAL A 88 5.222 -10.461 2.181 1.00 0.00 H new ATOM 0 HA VAL A 88 4.809 -11.290 4.965 1.00 0.00 H new ATOM 0 HB VAL A 88 3.067 -11.694 2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.315 -12.299 4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.707 -13.405 4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.493 -12.144 5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.635 -9.939 3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.826 -9.687 4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.259 -9.326 3.073 1.00 0.00 H new ATOM 1291 N SER A 89 5.635 -13.608 4.689 1.00 0.00 N ATOM 1292 CA SER A 89 6.130 -14.974 4.568 1.00 0.00 C ATOM 1293 C SER A 89 6.174 -15.659 5.930 1.00 0.00 C ATOM 1294 O SER A 89 6.573 -15.058 6.927 1.00 0.00 O ATOM 1295 CB SER A 89 7.523 -14.980 3.936 1.00 0.00 C ATOM 1296 OG SER A 89 7.882 -16.281 3.504 1.00 0.00 O ATOM 0 H SER A 89 5.685 -13.224 5.633 1.00 0.00 H new ATOM 0 HA SER A 89 5.445 -15.527 3.925 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.545 -14.294 3.090 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.255 -14.618 4.658 1.00 0.00 H new ATOM 0 HG SER A 89 8.776 -16.257 3.102 1.00 0.00 H new ATOM 1302 N ASP A 90 5.760 -16.921 5.964 1.00 0.00 N ATOM 1303 CA ASP A 90 5.752 -17.690 7.203 1.00 0.00 C ATOM 1304 C ASP A 90 7.112 -17.627 7.890 1.00 0.00 C ATOM 1305 O ASP A 90 7.234 -17.929 9.077 1.00 0.00 O ATOM 1306 CB ASP A 90 5.375 -19.145 6.923 1.00 0.00 C ATOM 1307 CG ASP A 90 6.169 -19.739 5.776 1.00 0.00 C ATOM 1308 OD1 ASP A 90 6.078 -19.204 4.651 1.00 0.00 O ATOM 1309 OD2 ASP A 90 6.883 -20.737 6.004 1.00 0.00 O ATOM 0 H ASP A 90 5.426 -17.433 5.148 1.00 0.00 H new ATOM 0 HA ASP A 90 5.008 -17.252 7.869 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.540 -19.739 7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.311 -19.204 6.693 1.00 0.00 H new ATOM 1314 N ALA A 91 8.133 -17.235 7.135 1.00 0.00 N ATOM 1315 CA ALA A 91 9.485 -17.132 7.671 1.00 0.00 C ATOM 1316 C ALA A 91 9.677 -15.822 8.429 1.00 0.00 C ATOM 1317 O ALA A 91 9.696 -14.745 7.832 1.00 0.00 O ATOM 1318 CB ALA A 91 10.507 -17.250 6.551 1.00 0.00 C ATOM 0 H ALA A 91 8.050 -16.983 6.150 1.00 0.00 H new ATOM 0 HA ALA A 91 9.635 -17.953 8.373 1.00 0.00 H new ATOM 0 HB1 ALA A 91 11.512 -17.171 6.966 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.394 -18.214 6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.349 -16.449 5.828 1.00 0.00 H new ATOM 1324 N LEU A 92 9.818 -15.922 9.746 1.00 0.00 N ATOM 1325 CA LEU A 92 10.008 -14.745 10.586 1.00 0.00 C ATOM 1326 C LEU A 92 11.145 -14.962 11.580 1.00 0.00 C ATOM 1327 O LEU A 92 11.330 -16.053 12.120 1.00 0.00 O ATOM 1328 CB LEU A 92 8.716 -14.415 11.337 1.00 0.00 C ATOM 1329 CG LEU A 92 7.434 -14.427 10.503 1.00 0.00 C ATOM 1330 CD1 LEU A 92 6.240 -14.807 11.365 1.00 0.00 C ATOM 1331 CD2 LEU A 92 7.211 -13.072 9.848 1.00 0.00 C ATOM 0 H LEU A 92 9.804 -16.806 10.255 1.00 0.00 H new ATOM 0 HA LEU A 92 10.270 -13.907 9.939 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.601 -15.128 12.153 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.823 -13.429 11.788 1.00 0.00 H new ATOM 0 HG LEU A 92 7.542 -15.175 9.717 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.337 -14.810 10.755 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.397 -15.800 11.786 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.129 -14.083 12.173 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.294 -13.099 9.259 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.125 -12.305 10.618 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.054 -12.839 9.197 1.00 0.00 H new ATOM 1343 N PRO A 93 11.925 -13.900 11.828 1.00 0.00 N ATOM 1344 CA PRO A 93 13.056 -13.949 12.760 1.00 0.00 C ATOM 1345 C PRO A 93 12.606 -14.081 14.211 1.00 0.00 C ATOM 1346 O PRO A 93 11.934 -13.199 14.746 1.00 0.00 O ATOM 1347 CB PRO A 93 13.757 -12.606 12.538 1.00 0.00 C ATOM 1348 CG PRO A 93 12.689 -11.701 12.026 1.00 0.00 C ATOM 1349 CD PRO A 93 11.763 -12.569 11.219 1.00 0.00 C ATOM 0 HA PRO A 93 13.695 -14.814 12.581 1.00 0.00 H new ATOM 0 HB2 PRO A 93 14.187 -12.226 13.465 1.00 0.00 H new ATOM 0 HB3 PRO A 93 14.574 -12.699 11.822 1.00 0.00 H new ATOM 0 HG2 PRO A 93 12.157 -11.221 12.847 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.112 -10.906 11.412 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.732 -12.222 11.280 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.035 -12.574 10.164 1.00 0.00 H new ATOM 1357 N SER A 94 12.981 -15.189 14.843 1.00 0.00 N ATOM 1358 CA SER A 94 12.613 -15.438 16.232 1.00 0.00 C ATOM 1359 C SER A 94 13.604 -14.776 17.184 1.00 0.00 C ATOM 1360 O SER A 94 14.645 -15.346 17.509 1.00 0.00 O ATOM 1361 CB SER A 94 12.554 -16.942 16.504 1.00 0.00 C ATOM 1362 OG SER A 94 11.466 -17.542 15.821 1.00 0.00 O ATOM 0 H SER A 94 13.539 -15.928 14.415 1.00 0.00 H new ATOM 0 HA SER A 94 11.627 -15.006 16.404 1.00 0.00 H new ATOM 0 HB2 SER A 94 13.487 -17.409 16.189 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.456 -17.117 17.575 1.00 0.00 H new ATOM 0 HG SER A 94 11.451 -18.504 16.010 1.00 0.00 H new ATOM 1368 N GLY A 95 13.273 -13.567 17.627 1.00 0.00 N ATOM 1369 CA GLY A 95 14.144 -12.846 18.537 1.00 0.00 C ATOM 1370 C GLY A 95 14.653 -13.720 19.666 1.00 0.00 C ATOM 1371 O GLY A 95 15.672 -14.400 19.542 1.00 0.00 O ATOM 0 H GLY A 95 12.417 -13.074 17.372 1.00 0.00 H new ATOM 0 HA2 GLY A 95 14.992 -12.444 17.982 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.605 -11.996 18.955 1.00 0.00 H new ATOM 1375 N PRO A 96 13.936 -13.707 20.800 1.00 0.00 N ATOM 1376 CA PRO A 96 14.303 -14.498 21.978 1.00 0.00 C ATOM 1377 C PRO A 96 14.109 -15.994 21.755 1.00 0.00 C ATOM 1378 O PRO A 96 13.211 -16.411 21.024 1.00 0.00 O ATOM 1379 CB PRO A 96 13.347 -13.990 23.059 1.00 0.00 C ATOM 1380 CG PRO A 96 12.169 -13.470 22.309 1.00 0.00 C ATOM 1381 CD PRO A 96 12.710 -12.921 21.018 1.00 0.00 C ATOM 0 HA PRO A 96 15.356 -14.383 22.234 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.060 -14.790 23.742 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.810 -13.208 23.661 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.444 -14.262 22.123 1.00 0.00 H new ATOM 0 HG3 PRO A 96 11.655 -12.695 22.878 1.00 0.00 H new ATOM 0 HD2 PRO A 96 12.001 -13.047 20.200 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.924 -11.855 21.093 1.00 0.00 H new ATOM 1389 N SER A 97 14.955 -16.798 22.391 1.00 0.00 N ATOM 1390 CA SER A 97 14.878 -18.248 22.260 1.00 0.00 C ATOM 1391 C SER A 97 14.207 -18.869 23.481 1.00 0.00 C ATOM 1392 O SER A 97 14.420 -18.429 24.611 1.00 0.00 O ATOM 1393 CB SER A 97 16.277 -18.840 22.076 1.00 0.00 C ATOM 1394 OG SER A 97 16.262 -20.246 22.249 1.00 0.00 O ATOM 0 H SER A 97 15.702 -16.469 23.003 1.00 0.00 H new ATOM 0 HA SER A 97 14.276 -18.477 21.381 1.00 0.00 H new ATOM 0 HB2 SER A 97 16.650 -18.597 21.081 1.00 0.00 H new ATOM 0 HB3 SER A 97 16.963 -18.389 22.793 1.00 0.00 H new ATOM 0 HG SER A 97 17.167 -20.601 22.125 1.00 0.00 H new ATOM 1400 N SER A 98 13.395 -19.895 23.245 1.00 0.00 N ATOM 1401 CA SER A 98 12.689 -20.575 24.324 1.00 0.00 C ATOM 1402 C SER A 98 12.933 -22.080 24.269 1.00 0.00 C ATOM 1403 O SER A 98 12.747 -22.713 23.231 1.00 0.00 O ATOM 1404 CB SER A 98 11.189 -20.287 24.241 1.00 0.00 C ATOM 1405 OG SER A 98 10.589 -20.334 25.524 1.00 0.00 O ATOM 0 H SER A 98 13.210 -20.273 22.316 1.00 0.00 H new ATOM 0 HA SER A 98 13.073 -20.197 25.271 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.028 -19.305 23.797 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.711 -21.015 23.586 1.00 0.00 H new ATOM 0 HG SER A 98 9.631 -20.145 25.444 1.00 0.00 H new ATOM 1411 N GLY A 99 13.352 -22.647 25.396 1.00 0.00 N ATOM 1412 CA GLY A 99 13.616 -24.073 25.457 1.00 0.00 C ATOM 1413 C GLY A 99 14.546 -24.443 26.595 1.00 0.00 C ATOM 1414 O GLY A 99 15.578 -23.803 26.795 1.00 0.00 O ATOM 0 H GLY A 99 13.513 -22.144 26.269 1.00 0.00 H new ATOM 0 HA2 GLY A 99 12.674 -24.609 25.573 1.00 0.00 H new ATOM 0 HA3 GLY A 99 14.054 -24.399 24.514 1.00 0.00 H new TER 1418 GLY A 99