USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 781 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 38 ASN : amide:sc= -4.05! X(o=-3!,f=-3.5) USER MOD Set 1.2: A 83 TYR OH : rot -84:sc= 1.02 USER MOD Set 2.1: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 84 SER OG : rot 51:sc= -0.306 USER MOD Set 3.1: A 44 SER OG : rot -150:sc= 1.21 USER MOD Set 3.2: A 47 THR OG1 : rot 157:sc= 0.647 USER MOD Set 4.1: A 8 GLN : amide:sc= 0 X(o=-2.6,f=-2.5) USER MOD Set 4.2: A 25 ASN : amide:sc= -2.56 X(o=-2.6,f=-2.5) USER MOD Single : A 2 ASN : amide:sc= -0.725 K(o=-0.72,f=-1.8) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00789 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -11.4! C(o=-11!,f=-20!) USER MOD Single : A 13 ASN :FLIP amide:sc= -1.62! C(o=-4.6!,f=-1.6!) USER MOD Single : A 14 THR OG1 : rot 37:sc= -2.45! USER MOD Single : A 18 ASN :FLIP amide:sc= -1.56 F(o=-2.2,f=-1.6) USER MOD Single : A 20 ASN : amide:sc= -0.846 K(o=-0.85,f=-1.6!) USER MOD Single : A 21 THR OG1 : rot -139:sc= -1.26 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.0035) USER MOD Single : A 28 TYR OH : rot 70:sc= -1.98 USER MOD Single : A 33 GLN : amide:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 43 SER OG : rot 140:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -5:sc= -0.755 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 174:sc=-0.00098 (180deg=-0.0153) USER MOD Single : A 59 ASN : amide:sc= -0.983 X(o=-0.98,f=-1) USER MOD Single : A 62 SER OG : rot -160:sc= -0.319 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0463 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0273 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN :FLIP amide:sc= -1.85 F(o=-2.8!,f=-1.8) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0157 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 85 SER OG : rot 180:sc= 0.024 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -8.47! C(o=-8.5!,f=-14!) USER MOD Single : A 91 TYR OH : rot -15:sc= -4.24! USER MOD Single : A 93 CYS SG : rot 180:sc= -0.276 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.537 X(o=-0.54,f=-0.048) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 TYR OH : rot 62:sc= -1.74! USER MOD Single : A 103 HIS :FLIP no HD1:sc= -5.63! C(o=-7.6!,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 15 N ASN A 2 -2.409 2.052 8.450 1.00 12.00 N ATOM 16 CA ASN A 2 -1.877 0.665 8.632 1.00 12.00 C ATOM 17 C ASN A 2 -2.227 -0.168 7.387 1.00 12.00 C ATOM 18 O ASN A 2 -3.144 0.161 6.662 1.00 12.00 O ATOM 19 CB ASN A 2 -2.481 0.056 9.901 1.00 12.00 C ATOM 20 CG ASN A 2 -1.948 -1.367 10.109 1.00 12.00 C ATOM 21 OD1 ASN A 2 -2.715 -2.286 10.318 1.00 12.00 O ATOM 22 ND2 ASN A 2 -0.661 -1.592 10.068 1.00 12.00 N ATOM 0 HA ASN A 2 -0.793 0.679 8.746 1.00 12.00 H new ATOM 0 HB2 ASN A 2 -2.234 0.675 10.764 1.00 12.00 H new ATOM 0 HB3 ASN A 2 -3.568 0.038 9.823 1.00 12.00 H new ATOM 0 HD21 ASN A 2 -0.304 -2.537 10.211 1.00 12.00 H new ATOM 0 HD22 ASN A 2 -0.014 -0.823 9.893 1.00 12.00 H new ATOM 29 N TRP A 3 -1.472 -1.217 7.125 1.00 12.00 N ATOM 30 CA TRP A 3 -1.704 -2.076 5.898 1.00 12.00 C ATOM 31 C TRP A 3 -2.996 -2.911 6.057 1.00 12.00 C ATOM 32 O TRP A 3 -3.560 -3.355 5.076 1.00 12.00 O ATOM 33 CB TRP A 3 -0.509 -3.041 5.731 1.00 12.00 C ATOM 34 CG TRP A 3 0.171 -2.948 4.388 1.00 12.00 C ATOM 35 CD1 TRP A 3 1.499 -2.738 4.249 1.00 12.00 C ATOM 36 CD2 TRP A 3 -0.357 -3.111 3.024 1.00 12.00 C ATOM 37 NE1 TRP A 3 1.832 -2.782 2.912 1.00 12.00 N ATOM 38 CE2 TRP A 3 0.730 -3.004 2.115 1.00 12.00 C ATOM 39 CE3 TRP A 3 -1.639 -3.338 2.479 1.00 12.00 C ATOM 40 CZ2 TRP A 3 0.558 -3.133 0.737 1.00 12.00 C ATOM 41 CZ3 TRP A 3 -1.813 -3.467 1.087 1.00 12.00 C ATOM 42 CH2 TRP A 3 -0.716 -3.367 0.218 1.00 12.00 C ATOM 0 H TRP A 3 -0.696 -1.521 7.712 1.00 12.00 H new ATOM 0 HA TRP A 3 -1.803 -1.428 5.027 1.00 12.00 H new ATOM 0 HB2 TRP A 3 0.223 -2.836 6.512 1.00 12.00 H new ATOM 0 HB3 TRP A 3 -0.857 -4.063 5.881 1.00 12.00 H new ATOM 0 HD1 TRP A 3 2.191 -2.563 5.059 1.00 12.00 H new ATOM 0 HE1 TRP A 3 2.780 -2.664 2.555 1.00 12.00 H new ATOM 0 HE3 TRP A 3 -2.494 -3.413 3.135 1.00 12.00 H new ATOM 0 HZ2 TRP A 3 1.407 -3.052 0.075 1.00 12.00 H new ATOM 0 HZ3 TRP A 3 -2.800 -3.644 0.685 1.00 12.00 H new ATOM 0 HH2 TRP A 3 -0.857 -3.471 -0.848 1.00 12.00 H new ATOM 53 N ALA A 4 -3.441 -3.151 7.284 1.00 12.00 N ATOM 54 CA ALA A 4 -4.680 -3.990 7.523 1.00 12.00 C ATOM 55 C ALA A 4 -5.951 -3.199 7.178 1.00 12.00 C ATOM 56 O ALA A 4 -6.675 -3.537 6.244 1.00 12.00 O ATOM 57 CB ALA A 4 -4.732 -4.411 8.995 1.00 12.00 C ATOM 0 H ALA A 4 -2.997 -2.800 8.132 1.00 12.00 H new ATOM 0 HA ALA A 4 -4.632 -4.870 6.882 1.00 12.00 H new ATOM 0 HB1 ALA A 4 -5.623 -5.015 9.170 1.00 12.00 H new ATOM 0 HB2 ALA A 4 -3.844 -4.995 9.238 1.00 12.00 H new ATOM 0 HB3 ALA A 4 -4.766 -3.523 9.626 1.00 12.00 H new ATOM 63 N THR A 5 -6.221 -2.151 7.928 1.00 12.00 N ATOM 64 CA THR A 5 -7.425 -1.302 7.669 1.00 12.00 C ATOM 65 C THR A 5 -7.297 -0.714 6.263 1.00 12.00 C ATOM 66 O THR A 5 -8.286 -0.526 5.570 1.00 12.00 O ATOM 67 CB THR A 5 -7.493 -0.179 8.712 1.00 12.00 C ATOM 68 OG1 THR A 5 -7.212 -0.715 9.999 1.00 12.00 O ATOM 69 CG2 THR A 5 -8.889 0.438 8.710 1.00 12.00 C ATOM 0 H THR A 5 -5.649 -1.848 8.716 1.00 12.00 H new ATOM 0 HA THR A 5 -8.337 -1.895 7.741 1.00 12.00 H new ATOM 0 HB THR A 5 -6.759 0.589 8.468 1.00 12.00 H new ATOM 0 HG1 THR A 5 -7.253 0.000 10.667 1.00 12.00 H new ATOM 0 HG21 THR A 5 -8.935 1.236 9.452 1.00 12.00 H new ATOM 0 HG22 THR A 5 -9.105 0.847 7.723 1.00 12.00 H new ATOM 0 HG23 THR A 5 -9.626 -0.328 8.954 1.00 12.00 H new ATOM 77 N PHE A 6 -6.073 -0.470 5.830 1.00 12.00 N ATOM 78 CA PHE A 6 -5.838 0.056 4.458 1.00 12.00 C ATOM 79 C PHE A 6 -6.020 -1.088 3.464 1.00 12.00 C ATOM 80 O PHE A 6 -6.381 -0.858 2.331 1.00 12.00 O ATOM 81 CB PHE A 6 -4.435 0.629 4.349 1.00 12.00 C ATOM 82 CG PHE A 6 -4.277 1.285 2.996 1.00 12.00 C ATOM 83 CD1 PHE A 6 -4.073 0.486 1.869 1.00 12.00 C ATOM 84 CD2 PHE A 6 -4.355 2.685 2.860 1.00 12.00 C ATOM 85 CE1 PHE A 6 -3.942 1.067 0.612 1.00 12.00 C ATOM 86 CE2 PHE A 6 -4.231 3.271 1.596 1.00 12.00 C ATOM 87 CZ PHE A 6 -4.023 2.459 0.470 1.00 12.00 C ATOM 0 H PHE A 6 -5.228 -0.618 6.381 1.00 12.00 H new ATOM 0 HA PHE A 6 -6.548 0.854 4.239 1.00 12.00 H new ATOM 0 HB2 PHE A 6 -4.262 1.356 5.143 1.00 12.00 H new ATOM 0 HB3 PHE A 6 -3.695 -0.161 4.473 1.00 12.00 H new ATOM 0 HD1 PHE A 6 -4.017 -0.587 1.974 1.00 12.00 H new ATOM 0 HD2 PHE A 6 -4.510 3.305 3.731 1.00 12.00 H new ATOM 0 HE1 PHE A 6 -3.778 0.445 -0.255 1.00 12.00 H new ATOM 0 HE2 PHE A 6 -4.295 4.344 1.487 1.00 12.00 H new ATOM 0 HZ PHE A 6 -3.925 2.908 -0.507 1.00 12.00 H new ATOM 97 N GLN A 7 -5.811 -2.328 3.889 1.00 12.00 N ATOM 98 CA GLN A 7 -6.013 -3.506 2.965 1.00 12.00 C ATOM 99 C GLN A 7 -7.401 -3.376 2.351 1.00 12.00 C ATOM 100 O GLN A 7 -7.609 -3.661 1.183 1.00 12.00 O ATOM 101 CB GLN A 7 -5.916 -4.829 3.740 1.00 12.00 C ATOM 102 CG GLN A 7 -5.980 -6.008 2.757 1.00 12.00 C ATOM 103 CD GLN A 7 -4.841 -6.992 3.045 1.00 12.00 C ATOM 104 OE1 GLN A 7 -3.729 -6.796 2.599 1.00 12.00 O ATOM 105 NE2 GLN A 7 -5.073 -8.048 3.776 1.00 12.00 N ATOM 0 H GLN A 7 -5.510 -2.571 4.833 1.00 12.00 H new ATOM 0 HA GLN A 7 -5.242 -3.510 2.195 1.00 12.00 H new ATOM 0 HB2 GLN A 7 -4.985 -4.864 4.305 1.00 12.00 H new ATOM 0 HB3 GLN A 7 -6.730 -4.900 4.462 1.00 12.00 H new ATOM 0 HG2 GLN A 7 -6.941 -6.515 2.846 1.00 12.00 H new ATOM 0 HG3 GLN A 7 -5.906 -5.643 1.733 1.00 12.00 H new ATOM 0 HE21 GLN A 7 -6.007 -8.213 4.151 1.00 12.00 H new ATOM 0 HE22 GLN A 7 -4.320 -8.708 3.972 1.00 12.00 H new ATOM 114 N GLN A 8 -8.329 -2.879 3.140 1.00 12.00 N ATOM 115 CA GLN A 8 -9.708 -2.634 2.640 1.00 12.00 C ATOM 116 C GLN A 8 -9.674 -1.346 1.804 1.00 12.00 C ATOM 117 O GLN A 8 -10.288 -1.258 0.753 1.00 12.00 O ATOM 118 CB GLN A 8 -10.660 -2.450 3.826 1.00 12.00 C ATOM 119 CG GLN A 8 -11.298 -3.792 4.192 1.00 12.00 C ATOM 120 CD GLN A 8 -11.641 -3.800 5.683 1.00 12.00 C ATOM 121 OE1 GLN A 8 -12.743 -3.462 6.065 1.00 12.00 O ATOM 122 NE2 GLN A 8 -10.736 -4.169 6.547 1.00 12.00 N ATOM 0 H GLN A 8 -8.180 -2.633 4.119 1.00 12.00 H new ATOM 0 HA GLN A 8 -10.055 -3.475 2.040 1.00 12.00 H new ATOM 0 HB2 GLN A 8 -10.116 -2.050 4.682 1.00 12.00 H new ATOM 0 HB3 GLN A 8 -11.434 -1.726 3.574 1.00 12.00 H new ATOM 0 HG2 GLN A 8 -12.198 -3.953 3.599 1.00 12.00 H new ATOM 0 HG3 GLN A 8 -10.614 -4.608 3.960 1.00 12.00 H new ATOM 0 HE21 GLN A 8 -9.810 -4.453 6.226 1.00 12.00 H new ATOM 0 HE22 GLN A 8 -10.954 -4.174 7.543 1.00 12.00 H new ATOM 131 N LYS A 9 -8.942 -0.350 2.278 1.00 12.00 N ATOM 132 CA LYS A 9 -8.829 0.967 1.559 1.00 12.00 C ATOM 133 C LYS A 9 -8.574 0.771 0.050 1.00 12.00 C ATOM 134 O LYS A 9 -9.277 1.344 -0.768 1.00 12.00 O ATOM 135 CB LYS A 9 -7.696 1.805 2.186 1.00 12.00 C ATOM 136 CG LYS A 9 -7.658 3.191 1.534 1.00 12.00 C ATOM 137 CD LYS A 9 -8.446 4.194 2.390 1.00 12.00 C ATOM 138 CE LYS A 9 -7.487 5.186 3.057 1.00 12.00 C ATOM 139 NZ LYS A 9 -7.768 5.248 4.518 1.00 12.00 N ATOM 0 H LYS A 9 -8.411 -0.400 3.148 1.00 12.00 H new ATOM 0 HA LYS A 9 -9.777 1.494 1.667 1.00 12.00 H new ATOM 0 HB2 LYS A 9 -7.854 1.902 3.260 1.00 12.00 H new ATOM 0 HB3 LYS A 9 -6.739 1.301 2.049 1.00 12.00 H new ATOM 0 HG2 LYS A 9 -6.626 3.524 1.427 1.00 12.00 H new ATOM 0 HG3 LYS A 9 -8.083 3.143 0.531 1.00 12.00 H new ATOM 0 HD2 LYS A 9 -9.162 4.731 1.768 1.00 12.00 H new ATOM 0 HD3 LYS A 9 -9.019 3.663 3.150 1.00 12.00 H new ATOM 0 HE2 LYS A 9 -6.455 4.879 2.888 1.00 12.00 H new ATOM 0 HE3 LYS A 9 -7.603 6.174 2.612 1.00 12.00 H new ATOM 0 HZ1 LYS A 9 -7.116 5.922 4.969 1.00 12.00 H new ATOM 0 HZ2 LYS A 9 -8.748 5.560 4.670 1.00 12.00 H new ATOM 0 HZ3 LYS A 9 -7.636 4.305 4.937 1.00 12.00 H new ATOM 153 N HIS A 10 -7.581 -0.017 -0.323 1.00 12.00 N ATOM 154 CA HIS A 10 -7.281 -0.237 -1.779 1.00 12.00 C ATOM 155 C HIS A 10 -7.964 -1.502 -2.304 1.00 12.00 C ATOM 156 O HIS A 10 -8.000 -1.701 -3.509 1.00 12.00 O ATOM 157 CB HIS A 10 -5.763 -0.380 -2.020 1.00 12.00 C ATOM 158 CG HIS A 10 -5.170 0.915 -2.492 1.00 12.00 C ATOM 159 ND1 HIS A 10 -3.804 1.131 -2.479 1.00 12.00 N ATOM 160 CD2 HIS A 10 -5.723 2.044 -3.035 1.00 12.00 C ATOM 161 CE1 HIS A 10 -3.581 2.348 -3.004 1.00 12.00 C ATOM 162 NE2 HIS A 10 -4.715 2.946 -3.358 1.00 12.00 N ATOM 0 H HIS A 10 -6.967 -0.516 0.321 1.00 12.00 H new ATOM 0 HA HIS A 10 -7.662 0.636 -2.309 1.00 12.00 H new ATOM 0 HB2 HIS A 10 -5.273 -0.694 -1.099 1.00 12.00 H new ATOM 0 HB3 HIS A 10 -5.580 -1.159 -2.760 1.00 12.00 H new ATOM 0 HD2 HIS A 10 -6.779 2.209 -3.189 1.00 12.00 H new ATOM 0 HE1 HIS A 10 -2.601 2.786 -3.124 1.00 12.00 H new ATOM 0 HE2 HIS A 10 -4.822 3.870 -3.777 1.00 12.00 H new ATOM 170 N ILE A 11 -8.454 -2.386 -1.441 1.00 12.00 N ATOM 171 CA ILE A 11 -9.064 -3.651 -1.975 1.00 12.00 C ATOM 172 C ILE A 11 -10.451 -3.985 -1.394 1.00 12.00 C ATOM 173 O ILE A 11 -10.623 -4.956 -0.665 1.00 12.00 O ATOM 174 CB ILE A 11 -8.089 -4.818 -1.736 1.00 12.00 C ATOM 175 CG1 ILE A 11 -6.691 -4.461 -2.276 1.00 12.00 C ATOM 176 CG2 ILE A 11 -8.603 -6.088 -2.432 1.00 12.00 C ATOM 177 CD1 ILE A 11 -6.730 -4.217 -3.792 1.00 12.00 C ATOM 0 H ILE A 11 -8.456 -2.285 -0.426 1.00 12.00 H new ATOM 0 HA ILE A 11 -9.231 -3.491 -3.040 1.00 12.00 H new ATOM 0 HB ILE A 11 -8.021 -5.001 -0.664 1.00 12.00 H new ATOM 0 HG12 ILE A 11 -6.319 -3.570 -1.770 1.00 12.00 H new ATOM 0 HG13 ILE A 11 -5.994 -5.269 -2.052 1.00 12.00 H new ATOM 0 HG21 ILE A 11 -7.905 -6.907 -2.256 1.00 12.00 H new ATOM 0 HG22 ILE A 11 -9.581 -6.352 -2.031 1.00 12.00 H new ATOM 0 HG23 ILE A 11 -8.687 -5.907 -3.504 1.00 12.00 H new ATOM 0 HD11 ILE A 11 -5.730 -3.967 -4.146 1.00 12.00 H new ATOM 0 HD12 ILE A 11 -7.079 -5.118 -4.297 1.00 12.00 H new ATOM 0 HD13 ILE A 11 -7.409 -3.393 -4.011 1.00 12.00 H new ATOM 189 N ILE A 12 -11.458 -3.253 -1.823 1.00 12.00 N ATOM 190 CA ILE A 12 -12.859 -3.588 -1.434 1.00 12.00 C ATOM 191 C ILE A 12 -13.387 -4.387 -2.633 1.00 12.00 C ATOM 192 O ILE A 12 -14.294 -3.969 -3.332 1.00 12.00 O ATOM 193 CB ILE A 12 -13.696 -2.318 -1.233 1.00 12.00 C ATOM 194 CG1 ILE A 12 -13.081 -1.445 -0.129 1.00 12.00 C ATOM 195 CG2 ILE A 12 -15.124 -2.712 -0.846 1.00 12.00 C ATOM 196 CD1 ILE A 12 -12.463 -0.187 -0.746 1.00 12.00 C ATOM 0 H ILE A 12 -11.363 -2.437 -2.427 1.00 12.00 H new ATOM 0 HA ILE A 12 -12.910 -4.137 -0.494 1.00 12.00 H new ATOM 0 HB ILE A 12 -13.711 -1.747 -2.161 1.00 12.00 H new ATOM 0 HG12 ILE A 12 -13.846 -1.167 0.596 1.00 12.00 H new ATOM 0 HG13 ILE A 12 -12.320 -2.008 0.411 1.00 12.00 H new ATOM 0 HG21 ILE A 12 -15.723 -1.813 -0.702 1.00 12.00 H new ATOM 0 HG22 ILE A 12 -15.562 -3.317 -1.640 1.00 12.00 H new ATOM 0 HG23 ILE A 12 -15.105 -3.287 0.080 1.00 12.00 H new ATOM 0 HD11 ILE A 12 -12.028 0.429 0.042 1.00 12.00 H new ATOM 0 HD12 ILE A 12 -11.685 -0.473 -1.454 1.00 12.00 H new ATOM 0 HD13 ILE A 12 -13.235 0.380 -1.265 1.00 12.00 H new ATOM 208 N ASN A 13 -12.745 -5.509 -2.904 1.00 12.00 N ATOM 209 CA ASN A 13 -13.097 -6.354 -4.088 1.00 12.00 C ATOM 210 C ASN A 13 -14.446 -7.040 -3.865 1.00 12.00 C ATOM 211 O ASN A 13 -14.523 -8.201 -3.483 1.00 12.00 O ATOM 212 CB ASN A 13 -11.991 -7.396 -4.321 1.00 12.00 C ATOM 213 CG ASN A 13 -10.841 -6.753 -5.107 1.00 12.00 C ATOM 214 OD1 ASN A 13 -10.395 -5.575 -4.754 1.00 12.00 O flip ATOM 215 ND2 ASN A 13 -10.341 -7.329 -6.053 1.00 12.00 N flip ATOM 0 H ASN A 13 -11.979 -5.875 -2.340 1.00 12.00 H new ATOM 0 HA ASN A 13 -13.179 -5.722 -4.972 1.00 12.00 H new ATOM 0 HB2 ASN A 13 -11.626 -7.775 -3.366 1.00 12.00 H new ATOM 0 HB3 ASN A 13 -12.390 -8.249 -4.871 1.00 12.00 H new ATOM 0 HD21 ASN A 13 -10.686 -8.248 -6.331 1.00 12.00 H new ATOM 0 HD22 ASN A 13 -9.576 -6.894 -6.569 1.00 12.00 H new ATOM 222 N THR A 14 -15.509 -6.313 -4.112 1.00 12.00 N ATOM 223 CA THR A 14 -16.880 -6.866 -3.939 1.00 12.00 C ATOM 224 C THR A 14 -17.711 -6.538 -5.206 1.00 12.00 C ATOM 225 O THR A 14 -18.539 -5.639 -5.178 1.00 12.00 O ATOM 226 CB THR A 14 -17.517 -6.234 -2.693 1.00 12.00 C ATOM 227 OG1 THR A 14 -17.255 -4.834 -2.683 1.00 12.00 O ATOM 228 CG2 THR A 14 -16.921 -6.874 -1.436 1.00 12.00 C ATOM 0 H THR A 14 -15.479 -5.345 -4.431 1.00 12.00 H new ATOM 0 HA THR A 14 -16.848 -7.947 -3.806 1.00 12.00 H new ATOM 0 HB THR A 14 -18.594 -6.401 -2.711 1.00 12.00 H new ATOM 0 HG1 THR A 14 -17.289 -4.488 -3.599 1.00 12.00 H new ATOM 0 HG21 THR A 14 -17.372 -6.426 -0.551 1.00 12.00 H new ATOM 0 HG22 THR A 14 -17.122 -7.945 -1.443 1.00 12.00 H new ATOM 0 HG23 THR A 14 -15.844 -6.707 -1.418 1.00 12.00 H new ATOM 236 N PRO A 15 -17.471 -7.270 -6.296 1.00 12.00 N ATOM 237 CA PRO A 15 -18.200 -7.051 -7.562 1.00 12.00 C ATOM 238 C PRO A 15 -19.606 -7.660 -7.448 1.00 12.00 C ATOM 239 O PRO A 15 -19.857 -8.777 -7.878 1.00 12.00 O ATOM 240 CB PRO A 15 -17.345 -7.768 -8.612 1.00 12.00 C ATOM 241 CG PRO A 15 -16.500 -8.810 -7.850 1.00 12.00 C ATOM 242 CD PRO A 15 -16.467 -8.367 -6.377 1.00 12.00 C ATOM 0 HA PRO A 15 -18.342 -6.001 -7.817 1.00 12.00 H new ATOM 0 HB2 PRO A 15 -17.973 -8.250 -9.361 1.00 12.00 H new ATOM 0 HB3 PRO A 15 -16.705 -7.061 -9.140 1.00 12.00 H new ATOM 0 HG2 PRO A 15 -16.936 -9.805 -7.945 1.00 12.00 H new ATOM 0 HG3 PRO A 15 -15.491 -8.864 -8.260 1.00 12.00 H new ATOM 0 HD2 PRO A 15 -16.723 -9.190 -5.709 1.00 12.00 H new ATOM 0 HD3 PRO A 15 -15.475 -8.019 -6.089 1.00 12.00 H new ATOM 250 N ILE A 16 -20.508 -6.922 -6.842 1.00 12.00 N ATOM 251 CA ILE A 16 -21.910 -7.402 -6.642 1.00 12.00 C ATOM 252 C ILE A 16 -22.865 -6.217 -6.844 1.00 12.00 C ATOM 253 O ILE A 16 -22.434 -5.076 -6.918 1.00 12.00 O ATOM 254 CB ILE A 16 -22.054 -7.949 -5.210 1.00 12.00 C ATOM 255 CG1 ILE A 16 -20.900 -8.914 -4.899 1.00 12.00 C ATOM 256 CG2 ILE A 16 -23.380 -8.698 -5.074 1.00 12.00 C ATOM 257 CD1 ILE A 16 -20.935 -9.301 -3.419 1.00 12.00 C ATOM 0 H ILE A 16 -20.325 -5.989 -6.471 1.00 12.00 H new ATOM 0 HA ILE A 16 -22.148 -8.192 -7.354 1.00 12.00 H new ATOM 0 HB ILE A 16 -22.029 -7.113 -4.510 1.00 12.00 H new ATOM 0 HG12 ILE A 16 -20.982 -9.806 -5.520 1.00 12.00 H new ATOM 0 HG13 ILE A 16 -19.946 -8.445 -5.140 1.00 12.00 H new ATOM 0 HG21 ILE A 16 -23.478 -9.083 -4.059 1.00 12.00 H new ATOM 0 HG22 ILE A 16 -24.205 -8.018 -5.285 1.00 12.00 H new ATOM 0 HG23 ILE A 16 -23.404 -9.527 -5.781 1.00 12.00 H new ATOM 0 HD11 ILE A 16 -20.115 -9.986 -3.202 1.00 12.00 H new ATOM 0 HD12 ILE A 16 -20.832 -8.406 -2.806 1.00 12.00 H new ATOM 0 HD13 ILE A 16 -21.884 -9.788 -3.193 1.00 12.00 H new ATOM 269 N ILE A 17 -24.154 -6.478 -6.931 1.00 12.00 N ATOM 270 CA ILE A 17 -25.152 -5.373 -7.129 1.00 12.00 C ATOM 271 C ILE A 17 -25.694 -4.909 -5.762 1.00 12.00 C ATOM 272 O ILE A 17 -26.877 -4.642 -5.602 1.00 12.00 O ATOM 273 CB ILE A 17 -26.296 -5.891 -8.013 1.00 12.00 C ATOM 274 CG1 ILE A 17 -26.909 -7.137 -7.371 1.00 12.00 C ATOM 275 CG2 ILE A 17 -25.748 -6.246 -9.396 1.00 12.00 C ATOM 276 CD1 ILE A 17 -28.355 -7.296 -7.844 1.00 12.00 C ATOM 0 H ILE A 17 -24.557 -7.413 -6.873 1.00 12.00 H new ATOM 0 HA ILE A 17 -24.676 -4.522 -7.617 1.00 12.00 H new ATOM 0 HB ILE A 17 -27.060 -5.120 -8.112 1.00 12.00 H new ATOM 0 HG12 ILE A 17 -26.329 -8.020 -7.639 1.00 12.00 H new ATOM 0 HG13 ILE A 17 -26.878 -7.052 -6.285 1.00 12.00 H new ATOM 0 HG21 ILE A 17 -26.559 -6.614 -10.025 1.00 12.00 H new ATOM 0 HG22 ILE A 17 -25.309 -5.359 -9.852 1.00 12.00 H new ATOM 0 HG23 ILE A 17 -24.985 -7.019 -9.298 1.00 12.00 H new ATOM 0 HD11 ILE A 17 -28.792 -8.184 -7.387 1.00 12.00 H new ATOM 0 HD12 ILE A 17 -28.931 -6.417 -7.554 1.00 12.00 H new ATOM 0 HD13 ILE A 17 -28.374 -7.400 -8.929 1.00 12.00 H new ATOM 288 N ASN A 18 -24.819 -4.804 -4.779 1.00 12.00 N ATOM 289 CA ASN A 18 -25.235 -4.356 -3.404 1.00 12.00 C ATOM 290 C ASN A 18 -24.059 -3.619 -2.750 1.00 12.00 C ATOM 291 O ASN A 18 -23.093 -4.241 -2.338 1.00 12.00 O ATOM 292 CB ASN A 18 -25.603 -5.582 -2.554 1.00 12.00 C ATOM 293 CG ASN A 18 -26.555 -6.494 -3.334 1.00 12.00 C ATOM 294 OD1 ASN A 18 -27.747 -6.061 -3.637 1.00 12.00 O flip ATOM 295 ND2 ASN A 18 -26.210 -7.611 -3.667 1.00 12.00 N flip ATOM 0 H ASN A 18 -23.825 -5.012 -4.874 1.00 12.00 H new ATOM 0 HA ASN A 18 -26.099 -3.695 -3.475 1.00 12.00 H new ATOM 0 HB2 ASN A 18 -24.701 -6.131 -2.283 1.00 12.00 H new ATOM 0 HB3 ASN A 18 -26.073 -5.262 -1.624 1.00 12.00 H new ATOM 0 HD21 ASN A 18 -25.277 -7.949 -3.429 1.00 12.00 H new ATOM 0 HD22 ASN A 18 -26.853 -8.211 -4.184 1.00 12.00 H new ATOM 302 N CYS A 19 -24.128 -2.301 -2.675 1.00 12.00 N ATOM 303 CA CYS A 19 -22.996 -1.506 -2.067 1.00 12.00 C ATOM 304 C CYS A 19 -23.071 -1.500 -0.530 1.00 12.00 C ATOM 305 O CYS A 19 -22.091 -1.182 0.119 1.00 12.00 O ATOM 306 CB CYS A 19 -23.009 -0.052 -2.583 1.00 12.00 C ATOM 307 SG CYS A 19 -23.091 -0.040 -4.393 1.00 12.00 S ATOM 0 H CYS A 19 -24.915 -1.744 -3.007 1.00 12.00 H new ATOM 0 HA CYS A 19 -22.067 -1.990 -2.369 1.00 12.00 H new ATOM 0 HB2 CYS A 19 -23.864 0.483 -2.168 1.00 12.00 H new ATOM 0 HB3 CYS A 19 -22.113 0.470 -2.247 1.00 12.00 H new ATOM 312 N ASN A 20 -24.206 -1.845 0.056 1.00 12.00 N ATOM 313 CA ASN A 20 -24.314 -1.845 1.565 1.00 12.00 C ATOM 314 C ASN A 20 -23.789 -3.164 2.138 1.00 12.00 C ATOM 315 O ASN A 20 -22.915 -3.173 2.989 1.00 12.00 O ATOM 316 CB ASN A 20 -25.771 -1.627 2.020 1.00 12.00 C ATOM 317 CG ASN A 20 -26.752 -2.432 1.158 1.00 12.00 C ATOM 318 OD1 ASN A 20 -27.121 -2.009 0.081 1.00 12.00 O ATOM 319 ND2 ASN A 20 -27.201 -3.576 1.597 1.00 12.00 N ATOM 0 H ASN A 20 -25.053 -2.124 -0.438 1.00 12.00 H new ATOM 0 HA ASN A 20 -23.707 -1.021 1.940 1.00 12.00 H new ATOM 0 HB2 ASN A 20 -25.876 -1.921 3.064 1.00 12.00 H new ATOM 0 HB3 ASN A 20 -26.018 -0.567 1.961 1.00 12.00 H new ATOM 0 HD21 ASN A 20 -27.861 -4.114 1.036 1.00 12.00 H new ATOM 0 HD22 ASN A 20 -26.892 -3.932 2.501 1.00 12.00 H new ATOM 326 N THR A 21 -24.331 -4.266 1.680 1.00 12.00 N ATOM 327 CA THR A 21 -23.909 -5.616 2.181 1.00 12.00 C ATOM 328 C THR A 21 -22.405 -5.815 1.979 1.00 12.00 C ATOM 329 O THR A 21 -21.771 -6.520 2.748 1.00 12.00 O ATOM 330 CB THR A 21 -24.678 -6.729 1.435 1.00 12.00 C ATOM 331 OG1 THR A 21 -25.121 -6.266 0.159 1.00 12.00 O ATOM 332 CG2 THR A 21 -25.882 -7.180 2.278 1.00 12.00 C ATOM 0 H THR A 21 -25.061 -4.289 0.968 1.00 12.00 H new ATOM 0 HA THR A 21 -24.137 -5.671 3.245 1.00 12.00 H new ATOM 0 HB THR A 21 -24.008 -7.575 1.280 1.00 12.00 H new ATOM 0 HG1 THR A 21 -26.030 -6.592 -0.010 1.00 12.00 H new ATOM 0 HG21 THR A 21 -26.423 -7.965 1.749 1.00 12.00 H new ATOM 0 HG22 THR A 21 -25.532 -7.563 3.237 1.00 12.00 H new ATOM 0 HG23 THR A 21 -26.546 -6.332 2.446 1.00 12.00 H new ATOM 340 N ILE A 22 -21.835 -5.213 0.953 1.00 12.00 N ATOM 341 CA ILE A 22 -20.369 -5.379 0.700 1.00 12.00 C ATOM 342 C ILE A 22 -19.566 -4.442 1.610 1.00 12.00 C ATOM 343 O ILE A 22 -18.528 -4.826 2.127 1.00 12.00 O ATOM 344 CB ILE A 22 -20.046 -5.100 -0.776 1.00 12.00 C ATOM 345 CG1 ILE A 22 -20.357 -3.641 -1.143 1.00 12.00 C ATOM 346 CG2 ILE A 22 -20.884 -6.027 -1.657 1.00 12.00 C ATOM 347 CD1 ILE A 22 -19.885 -3.358 -2.577 1.00 12.00 C ATOM 0 H ILE A 22 -22.324 -4.617 0.285 1.00 12.00 H new ATOM 0 HA ILE A 22 -20.090 -6.408 0.926 1.00 12.00 H new ATOM 0 HB ILE A 22 -18.983 -5.279 -0.937 1.00 12.00 H new ATOM 0 HG12 ILE A 22 -21.428 -3.455 -1.058 1.00 12.00 H new ATOM 0 HG13 ILE A 22 -19.860 -2.966 -0.446 1.00 12.00 H new ATOM 0 HG21 ILE A 22 -20.659 -5.834 -2.706 1.00 12.00 H new ATOM 0 HG22 ILE A 22 -20.648 -7.065 -1.421 1.00 12.00 H new ATOM 0 HG23 ILE A 22 -21.943 -5.844 -1.473 1.00 12.00 H new ATOM 0 HD11 ILE A 22 -20.107 -2.322 -2.835 1.00 12.00 H new ATOM 0 HD12 ILE A 22 -18.810 -3.527 -2.646 1.00 12.00 H new ATOM 0 HD13 ILE A 22 -20.403 -4.023 -3.268 1.00 12.00 H new ATOM 359 N MET A 23 -20.038 -3.226 1.805 1.00 12.00 N ATOM 360 CA MET A 23 -19.303 -2.256 2.680 1.00 12.00 C ATOM 361 C MET A 23 -19.884 -2.279 4.107 1.00 12.00 C ATOM 362 O MET A 23 -19.638 -1.374 4.887 1.00 12.00 O ATOM 363 CB MET A 23 -19.378 -0.839 2.063 1.00 12.00 C ATOM 364 CG MET A 23 -20.746 -0.179 2.310 1.00 12.00 C ATOM 365 SD MET A 23 -20.580 1.076 3.606 1.00 12.00 S ATOM 366 CE MET A 23 -22.295 1.034 4.190 1.00 12.00 C ATOM 0 H MET A 23 -20.900 -2.868 1.394 1.00 12.00 H new ATOM 0 HA MET A 23 -18.254 -2.546 2.745 1.00 12.00 H new ATOM 0 HB2 MET A 23 -18.592 -0.215 2.488 1.00 12.00 H new ATOM 0 HB3 MET A 23 -19.192 -0.899 0.991 1.00 12.00 H new ATOM 0 HG2 MET A 23 -21.114 0.277 1.391 1.00 12.00 H new ATOM 0 HG3 MET A 23 -21.477 -0.931 2.607 1.00 12.00 H new ATOM 0 HE1 MET A 23 -22.419 1.746 5.006 1.00 12.00 H new ATOM 0 HE2 MET A 23 -22.965 1.299 3.372 1.00 12.00 H new ATOM 0 HE3 MET A 23 -22.534 0.031 4.544 1.00 12.00 H new ATOM 376 N ASP A 24 -20.633 -3.314 4.448 1.00 12.00 N ATOM 377 CA ASP A 24 -21.223 -3.417 5.825 1.00 12.00 C ATOM 378 C ASP A 24 -20.077 -3.494 6.845 1.00 12.00 C ATOM 379 O ASP A 24 -19.584 -4.567 7.159 1.00 12.00 O ATOM 380 CB ASP A 24 -22.104 -4.681 5.906 1.00 12.00 C ATOM 381 CG ASP A 24 -23.562 -4.369 5.500 1.00 12.00 C ATOM 382 OD1 ASP A 24 -23.887 -3.208 5.285 1.00 12.00 O ATOM 383 OD2 ASP A 24 -24.334 -5.309 5.422 1.00 12.00 O ATOM 0 H ASP A 24 -20.859 -4.091 3.827 1.00 12.00 H new ATOM 0 HA ASP A 24 -21.841 -2.546 6.043 1.00 12.00 H new ATOM 0 HB2 ASP A 24 -21.698 -5.453 5.252 1.00 12.00 H new ATOM 0 HB3 ASP A 24 -22.083 -5.079 6.921 1.00 12.00 H new ATOM 388 N ASN A 25 -19.642 -2.351 7.344 1.00 12.00 N ATOM 389 CA ASN A 25 -18.515 -2.314 8.327 1.00 12.00 C ATOM 390 C ASN A 25 -18.420 -0.916 8.936 1.00 12.00 C ATOM 391 O ASN A 25 -18.754 0.068 8.295 1.00 12.00 O ATOM 392 CB ASN A 25 -17.201 -2.635 7.600 1.00 12.00 C ATOM 393 CG ASN A 25 -16.046 -2.774 8.604 1.00 12.00 C ATOM 394 OD1 ASN A 25 -16.246 -3.105 9.758 1.00 12.00 O ATOM 395 ND2 ASN A 25 -14.827 -2.548 8.198 1.00 12.00 N ATOM 0 H ASN A 25 -20.028 -1.438 7.105 1.00 12.00 H new ATOM 0 HA ASN A 25 -18.692 -3.047 9.114 1.00 12.00 H new ATOM 0 HB2 ASN A 25 -17.310 -3.559 7.033 1.00 12.00 H new ATOM 0 HB3 ASN A 25 -16.974 -1.846 6.883 1.00 12.00 H new ATOM 0 HD21 ASN A 25 -14.046 -2.649 8.847 1.00 12.00 H new ATOM 0 HD22 ASN A 25 -14.654 -2.270 7.232 1.00 12.00 H new ATOM 402 N ASN A 26 -17.959 -0.831 10.165 1.00 12.00 N ATOM 403 CA ASN A 26 -17.819 0.500 10.845 1.00 12.00 C ATOM 404 C ASN A 26 -16.687 1.315 10.197 1.00 12.00 C ATOM 405 O ASN A 26 -16.529 2.487 10.499 1.00 12.00 O ATOM 406 CB ASN A 26 -17.499 0.282 12.324 1.00 12.00 C ATOM 407 CG ASN A 26 -18.594 -0.576 12.959 1.00 12.00 C ATOM 408 OD1 ASN A 26 -19.583 -0.059 13.442 1.00 12.00 O ATOM 409 ND2 ASN A 26 -18.461 -1.875 12.979 1.00 12.00 N ATOM 0 H ASN A 26 -17.672 -1.631 10.729 1.00 12.00 H new ATOM 0 HA ASN A 26 -18.755 1.049 10.743 1.00 12.00 H new ATOM 0 HB2 ASN A 26 -16.531 -0.207 12.430 1.00 12.00 H new ATOM 0 HB3 ASN A 26 -17.429 1.241 12.838 1.00 12.00 H new ATOM 0 HD21 ASN A 26 -19.187 -2.456 13.400 1.00 12.00 H new ATOM 0 HD22 ASN A 26 -17.632 -2.309 12.574 1.00 12.00 H new ATOM 416 N ILE A 27 -15.900 0.709 9.319 1.00 12.00 N ATOM 417 CA ILE A 27 -14.779 1.454 8.659 1.00 12.00 C ATOM 418 C ILE A 27 -15.290 2.178 7.385 1.00 12.00 C ATOM 419 O ILE A 27 -14.504 2.723 6.626 1.00 12.00 O ATOM 420 CB ILE A 27 -13.630 0.447 8.358 1.00 12.00 C ATOM 421 CG1 ILE A 27 -12.276 1.107 8.655 1.00 12.00 C ATOM 422 CG2 ILE A 27 -13.650 -0.063 6.905 1.00 12.00 C ATOM 423 CD1 ILE A 27 -12.060 2.319 7.743 1.00 12.00 C ATOM 0 H ILE A 27 -15.992 -0.267 9.037 1.00 12.00 H new ATOM 0 HA ILE A 27 -14.390 2.231 9.317 1.00 12.00 H new ATOM 0 HB ILE A 27 -13.782 -0.418 9.004 1.00 12.00 H new ATOM 0 HG12 ILE A 27 -12.237 1.418 9.699 1.00 12.00 H new ATOM 0 HG13 ILE A 27 -11.473 0.385 8.508 1.00 12.00 H new ATOM 0 HG21 ILE A 27 -12.827 -0.761 6.753 1.00 12.00 H new ATOM 0 HG22 ILE A 27 -14.596 -0.569 6.710 1.00 12.00 H new ATOM 0 HG23 ILE A 27 -13.542 0.780 6.222 1.00 12.00 H new ATOM 0 HD11 ILE A 27 -11.096 2.775 7.967 1.00 12.00 H new ATOM 0 HD12 ILE A 27 -12.077 1.998 6.701 1.00 12.00 H new ATOM 0 HD13 ILE A 27 -12.854 3.047 7.911 1.00 12.00 H new ATOM 435 N TYR A 28 -16.594 2.187 7.157 1.00 12.00 N ATOM 436 CA TYR A 28 -17.162 2.873 5.943 1.00 12.00 C ATOM 437 C TYR A 28 -18.435 3.671 6.339 1.00 12.00 C ATOM 438 O TYR A 28 -19.515 3.433 5.807 1.00 12.00 O ATOM 439 CB TYR A 28 -17.526 1.815 4.880 1.00 12.00 C ATOM 440 CG TYR A 28 -16.280 1.309 4.201 1.00 12.00 C ATOM 441 CD1 TYR A 28 -15.511 2.178 3.420 1.00 12.00 C ATOM 442 CD2 TYR A 28 -15.902 -0.033 4.338 1.00 12.00 C ATOM 443 CE1 TYR A 28 -14.364 1.709 2.779 1.00 12.00 C ATOM 444 CE2 TYR A 28 -14.751 -0.504 3.692 1.00 12.00 C ATOM 445 CZ TYR A 28 -13.981 0.368 2.912 1.00 12.00 C ATOM 446 OH TYR A 28 -12.849 -0.091 2.273 1.00 12.00 O ATOM 0 H TYR A 28 -17.287 1.747 7.763 1.00 12.00 H new ATOM 0 HA TYR A 28 -16.420 3.560 5.535 1.00 12.00 H new ATOM 0 HB2 TYR A 28 -18.056 0.986 5.349 1.00 12.00 H new ATOM 0 HB3 TYR A 28 -18.201 2.248 4.142 1.00 12.00 H new ATOM 0 HD1 TYR A 28 -15.805 3.212 3.313 1.00 12.00 H new ATOM 0 HD2 TYR A 28 -16.497 -0.704 4.941 1.00 12.00 H new ATOM 0 HE1 TYR A 28 -13.770 2.382 2.179 1.00 12.00 H new ATOM 0 HE2 TYR A 28 -14.458 -1.538 3.796 1.00 12.00 H new ATOM 0 HH TYR A 28 -12.054 0.294 2.698 1.00 12.00 H new ATOM 456 N ILE A 29 -18.330 4.613 7.276 1.00 12.00 N ATOM 457 CA ILE A 29 -19.545 5.399 7.696 1.00 12.00 C ATOM 458 C ILE A 29 -19.143 6.793 8.178 1.00 12.00 C ATOM 459 O ILE A 29 -18.059 6.998 8.696 1.00 12.00 O ATOM 460 CB ILE A 29 -20.272 4.682 8.846 1.00 12.00 C ATOM 461 CG1 ILE A 29 -20.522 3.210 8.480 1.00 12.00 C ATOM 462 CG2 ILE A 29 -21.613 5.385 9.103 1.00 12.00 C ATOM 463 CD1 ILE A 29 -21.194 2.491 9.655 1.00 12.00 C ATOM 0 H ILE A 29 -17.465 4.862 7.756 1.00 12.00 H new ATOM 0 HA ILE A 29 -20.203 5.483 6.831 1.00 12.00 H new ATOM 0 HB ILE A 29 -19.655 4.719 9.744 1.00 12.00 H new ATOM 0 HG12 ILE A 29 -21.154 3.148 7.594 1.00 12.00 H new ATOM 0 HG13 ILE A 29 -19.579 2.722 8.234 1.00 12.00 H new ATOM 0 HG21 ILE A 29 -22.136 4.884 9.917 1.00 12.00 H new ATOM 0 HG22 ILE A 29 -21.432 6.425 9.374 1.00 12.00 H new ATOM 0 HG23 ILE A 29 -22.223 5.346 8.201 1.00 12.00 H new ATOM 0 HD11 ILE A 29 -21.369 1.448 9.391 1.00 12.00 H new ATOM 0 HD12 ILE A 29 -20.546 2.540 10.530 1.00 12.00 H new ATOM 0 HD13 ILE A 29 -22.145 2.973 9.881 1.00 12.00 H new ATOM 475 N VAL A 30 -20.047 7.733 8.033 1.00 12.00 N ATOM 476 CA VAL A 30 -19.805 9.142 8.502 1.00 12.00 C ATOM 477 C VAL A 30 -20.587 9.333 9.817 1.00 12.00 C ATOM 478 O VAL A 30 -21.390 8.484 10.181 1.00 12.00 O ATOM 479 CB VAL A 30 -20.308 10.119 7.420 1.00 12.00 C ATOM 480 CG1 VAL A 30 -20.072 11.567 7.853 1.00 12.00 C ATOM 481 CG2 VAL A 30 -19.544 9.860 6.119 1.00 12.00 C ATOM 0 H VAL A 30 -20.959 7.584 7.602 1.00 12.00 H new ATOM 0 HA VAL A 30 -18.746 9.333 8.673 1.00 12.00 H new ATOM 0 HB VAL A 30 -21.377 9.962 7.273 1.00 12.00 H new ATOM 0 HG11 VAL A 30 -20.433 12.242 7.077 1.00 12.00 H new ATOM 0 HG12 VAL A 30 -20.609 11.761 8.782 1.00 12.00 H new ATOM 0 HG13 VAL A 30 -19.006 11.731 8.009 1.00 12.00 H new ATOM 0 HG21 VAL A 30 -19.894 10.547 5.349 1.00 12.00 H new ATOM 0 HG22 VAL A 30 -18.478 10.015 6.286 1.00 12.00 H new ATOM 0 HG23 VAL A 30 -19.715 8.834 5.795 1.00 12.00 H new ATOM 491 N GLY A 31 -20.356 10.416 10.538 1.00 12.00 N ATOM 492 CA GLY A 31 -21.083 10.634 11.829 1.00 12.00 C ATOM 493 C GLY A 31 -22.372 11.410 11.556 1.00 12.00 C ATOM 494 O GLY A 31 -22.621 12.448 12.145 1.00 12.00 O ATOM 0 H GLY A 31 -19.697 11.152 10.284 1.00 12.00 H new ATOM 0 HA2 GLY A 31 -21.313 9.677 12.297 1.00 12.00 H new ATOM 0 HA3 GLY A 31 -20.453 11.186 12.526 1.00 12.00 H new ATOM 498 N GLY A 32 -23.188 10.891 10.661 1.00 12.00 N ATOM 499 CA GLY A 32 -24.480 11.549 10.308 1.00 12.00 C ATOM 500 C GLY A 32 -25.392 10.528 9.616 1.00 12.00 C ATOM 501 O GLY A 32 -26.498 10.278 10.067 1.00 12.00 O ATOM 0 H GLY A 32 -23.004 10.024 10.156 1.00 12.00 H new ATOM 0 HA2 GLY A 32 -24.962 11.936 11.206 1.00 12.00 H new ATOM 0 HA3 GLY A 32 -24.301 12.400 9.650 1.00 12.00 H new ATOM 505 N GLN A 33 -24.930 9.940 8.523 1.00 12.00 N ATOM 506 CA GLN A 33 -25.762 8.927 7.787 1.00 12.00 C ATOM 507 C GLN A 33 -24.882 8.168 6.790 1.00 12.00 C ATOM 508 O GLN A 33 -24.520 7.023 7.013 1.00 12.00 O ATOM 509 CB GLN A 33 -26.896 9.645 7.039 1.00 12.00 C ATOM 510 CG GLN A 33 -28.249 9.087 7.489 1.00 12.00 C ATOM 511 CD GLN A 33 -29.338 10.132 7.252 1.00 12.00 C ATOM 512 OE1 GLN A 33 -30.179 9.966 6.390 1.00 12.00 O ATOM 513 NE2 GLN A 33 -29.359 11.212 7.984 1.00 12.00 N ATOM 0 H GLN A 33 -24.013 10.121 8.114 1.00 12.00 H new ATOM 0 HA GLN A 33 -26.190 8.220 8.498 1.00 12.00 H new ATOM 0 HB2 GLN A 33 -26.851 10.716 7.234 1.00 12.00 H new ATOM 0 HB3 GLN A 33 -26.777 9.511 5.964 1.00 12.00 H new ATOM 0 HG2 GLN A 33 -28.479 8.175 6.938 1.00 12.00 H new ATOM 0 HG3 GLN A 33 -28.211 8.820 8.545 1.00 12.00 H new ATOM 0 HE21 GLN A 33 -28.654 11.352 8.707 1.00 12.00 H new ATOM 0 HE22 GLN A 33 -30.081 11.917 7.833 1.00 12.00 H new ATOM 522 N CYS A 34 -24.547 8.811 5.693 1.00 12.00 N ATOM 523 CA CYS A 34 -23.696 8.173 4.644 1.00 12.00 C ATOM 524 C CYS A 34 -22.776 9.234 4.040 1.00 12.00 C ATOM 525 O CYS A 34 -23.134 10.400 3.974 1.00 12.00 O ATOM 526 CB CYS A 34 -24.591 7.602 3.539 1.00 12.00 C ATOM 527 SG CYS A 34 -25.599 6.246 4.196 1.00 12.00 S ATOM 0 H CYS A 34 -24.834 9.766 5.481 1.00 12.00 H new ATOM 0 HA CYS A 34 -23.105 7.372 5.087 1.00 12.00 H new ATOM 0 HB2 CYS A 34 -25.236 8.385 3.141 1.00 12.00 H new ATOM 0 HB3 CYS A 34 -23.978 7.243 2.712 1.00 12.00 H new ATOM 532 N LYS A 35 -21.607 8.834 3.588 1.00 12.00 N ATOM 533 CA LYS A 35 -20.654 9.806 2.967 1.00 12.00 C ATOM 534 C LYS A 35 -21.163 10.182 1.572 1.00 12.00 C ATOM 535 O LYS A 35 -22.169 9.662 1.112 1.00 12.00 O ATOM 536 CB LYS A 35 -19.268 9.167 2.857 1.00 12.00 C ATOM 537 CG LYS A 35 -18.193 10.244 3.038 1.00 12.00 C ATOM 538 CD LYS A 35 -16.889 9.602 3.531 1.00 12.00 C ATOM 539 CE LYS A 35 -15.711 10.121 2.700 1.00 12.00 C ATOM 540 NZ LYS A 35 -15.433 9.168 1.588 1.00 12.00 N ATOM 0 H LYS A 35 -21.274 7.871 3.624 1.00 12.00 H new ATOM 0 HA LYS A 35 -20.585 10.701 3.585 1.00 12.00 H new ATOM 0 HB2 LYS A 35 -19.152 8.392 3.614 1.00 12.00 H new ATOM 0 HB3 LYS A 35 -19.154 8.684 1.886 1.00 12.00 H new ATOM 0 HG2 LYS A 35 -18.020 10.760 2.094 1.00 12.00 H new ATOM 0 HG3 LYS A 35 -18.533 10.993 3.753 1.00 12.00 H new ATOM 0 HD2 LYS A 35 -16.734 9.834 4.585 1.00 12.00 H new ATOM 0 HD3 LYS A 35 -16.953 8.517 3.450 1.00 12.00 H new ATOM 0 HE2 LYS A 35 -15.941 11.108 2.299 1.00 12.00 H new ATOM 0 HE3 LYS A 35 -14.828 10.231 3.329 1.00 12.00 H new ATOM 0 HZ1 LYS A 35 -14.634 9.518 1.022 1.00 12.00 H new ATOM 0 HZ2 LYS A 35 -15.196 8.235 1.982 1.00 12.00 H new ATOM 0 HZ3 LYS A 35 -16.275 9.085 0.983 1.00 12.00 H new ATOM 554 N ARG A 36 -20.475 11.080 0.902 1.00 12.00 N ATOM 555 CA ARG A 36 -20.901 11.507 -0.472 1.00 12.00 C ATOM 556 C ARG A 36 -20.438 10.479 -1.508 1.00 12.00 C ATOM 557 O ARG A 36 -20.940 10.468 -2.622 1.00 12.00 O ATOM 558 CB ARG A 36 -20.285 12.869 -0.796 1.00 12.00 C ATOM 559 CG ARG A 36 -21.167 13.978 -0.218 1.00 12.00 C ATOM 560 CD ARG A 36 -20.653 14.382 1.170 1.00 12.00 C ATOM 561 NE ARG A 36 -20.259 15.819 1.150 1.00 12.00 N ATOM 562 CZ ARG A 36 -19.724 16.364 2.207 1.00 12.00 C ATOM 563 NH1 ARG A 36 -20.391 16.400 3.328 1.00 12.00 N ATOM 564 NH2 ARG A 36 -18.523 16.872 2.144 1.00 12.00 N ATOM 0 H ARG A 36 -19.632 11.537 1.250 1.00 12.00 H new ATOM 0 HA ARG A 36 -21.988 11.579 -0.502 1.00 12.00 H new ATOM 0 HB2 ARG A 36 -19.280 12.934 -0.379 1.00 12.00 H new ATOM 0 HB3 ARG A 36 -20.191 12.990 -1.875 1.00 12.00 H new ATOM 0 HG2 ARG A 36 -21.163 14.842 -0.883 1.00 12.00 H new ATOM 0 HG3 ARG A 36 -22.199 13.635 -0.148 1.00 12.00 H new ATOM 0 HD2 ARG A 36 -21.427 14.216 1.920 1.00 12.00 H new ATOM 0 HD3 ARG A 36 -19.800 13.763 1.449 1.00 12.00 H new ATOM 0 HE ARG A 36 -20.408 16.377 0.309 1.00 12.00 H new ATOM 0 HH11 ARG A 36 -21.329 16.002 3.376 1.00 12.00 H new ATOM 0 HH12 ARG A 36 -19.974 16.826 4.156 1.00 12.00 H new ATOM 0 HH21 ARG A 36 -18.002 16.843 1.267 1.00 12.00 H new ATOM 0 HH22 ARG A 36 -18.105 17.298 2.971 1.00 12.00 H new ATOM 578 N VAL A 37 -19.495 9.619 -1.159 1.00 12.00 N ATOM 579 CA VAL A 37 -19.017 8.594 -2.146 1.00 12.00 C ATOM 580 C VAL A 37 -18.280 7.447 -1.446 1.00 12.00 C ATOM 581 O VAL A 37 -17.224 7.633 -0.862 1.00 12.00 O ATOM 582 CB VAL A 37 -18.096 9.262 -3.189 1.00 12.00 C ATOM 583 CG1 VAL A 37 -16.804 9.775 -2.535 1.00 12.00 C ATOM 584 CG2 VAL A 37 -17.741 8.242 -4.279 1.00 12.00 C ATOM 0 H VAL A 37 -19.044 9.586 -0.245 1.00 12.00 H new ATOM 0 HA VAL A 37 -19.888 8.173 -2.649 1.00 12.00 H new ATOM 0 HB VAL A 37 -18.625 10.110 -3.624 1.00 12.00 H new ATOM 0 HG11 VAL A 37 -16.173 10.241 -3.292 1.00 12.00 H new ATOM 0 HG12 VAL A 37 -17.051 10.508 -1.767 1.00 12.00 H new ATOM 0 HG13 VAL A 37 -16.270 8.940 -2.081 1.00 12.00 H new ATOM 0 HG21 VAL A 37 -17.090 8.710 -5.018 1.00 12.00 H new ATOM 0 HG22 VAL A 37 -17.227 7.393 -3.829 1.00 12.00 H new ATOM 0 HG23 VAL A 37 -18.653 7.897 -4.766 1.00 12.00 H new ATOM 594 N ASN A 38 -18.823 6.256 -1.565 1.00 12.00 N ATOM 595 CA ASN A 38 -18.173 5.040 -0.989 1.00 12.00 C ATOM 596 C ASN A 38 -17.412 4.390 -2.146 1.00 12.00 C ATOM 597 O ASN A 38 -17.922 3.518 -2.841 1.00 12.00 O ATOM 598 CB ASN A 38 -19.228 4.069 -0.417 1.00 12.00 C ATOM 599 CG ASN A 38 -20.264 4.825 0.433 1.00 12.00 C ATOM 600 OD1 ASN A 38 -20.056 5.958 0.830 1.00 12.00 O ATOM 601 ND2 ASN A 38 -21.385 4.231 0.739 1.00 12.00 N ATOM 0 H ASN A 38 -19.704 6.076 -2.046 1.00 12.00 H new ATOM 0 HA ASN A 38 -17.509 5.297 -0.164 1.00 12.00 H new ATOM 0 HB2 ASN A 38 -19.730 3.549 -1.233 1.00 12.00 H new ATOM 0 HB3 ASN A 38 -18.737 3.309 0.191 1.00 12.00 H new ATOM 0 HD21 ASN A 38 -22.080 4.715 1.307 1.00 12.00 H new ATOM 0 HD22 ASN A 38 -21.566 3.283 0.410 1.00 12.00 H new ATOM 608 N THR A 39 -16.217 4.874 -2.390 1.00 12.00 N ATOM 609 CA THR A 39 -15.401 4.376 -3.537 1.00 12.00 C ATOM 610 C THR A 39 -14.693 3.062 -3.193 1.00 12.00 C ATOM 611 O THR A 39 -13.824 3.016 -2.338 1.00 12.00 O ATOM 612 CB THR A 39 -14.349 5.431 -3.909 1.00 12.00 C ATOM 613 OG1 THR A 39 -14.908 6.733 -3.782 1.00 12.00 O ATOM 614 CG2 THR A 39 -13.893 5.215 -5.352 1.00 12.00 C ATOM 0 H THR A 39 -15.769 5.603 -1.834 1.00 12.00 H new ATOM 0 HA THR A 39 -16.073 4.194 -4.376 1.00 12.00 H new ATOM 0 HB THR A 39 -13.495 5.336 -3.238 1.00 12.00 H new ATOM 0 HG1 THR A 39 -14.233 7.403 -4.019 1.00 12.00 H new ATOM 0 HG21 THR A 39 -13.146 5.965 -5.614 1.00 12.00 H new ATOM 0 HG22 THR A 39 -13.458 4.220 -5.451 1.00 12.00 H new ATOM 0 HG23 THR A 39 -14.748 5.306 -6.021 1.00 12.00 H new ATOM 622 N PHE A 40 -15.045 2.013 -3.898 1.00 12.00 N ATOM 623 CA PHE A 40 -14.399 0.674 -3.697 1.00 12.00 C ATOM 624 C PHE A 40 -13.359 0.488 -4.817 1.00 12.00 C ATOM 625 O PHE A 40 -13.438 1.161 -5.832 1.00 12.00 O ATOM 626 CB PHE A 40 -15.474 -0.420 -3.782 1.00 12.00 C ATOM 627 CG PHE A 40 -16.603 -0.110 -2.821 1.00 12.00 C ATOM 628 CD1 PHE A 40 -16.329 0.186 -1.477 1.00 12.00 C ATOM 629 CD2 PHE A 40 -17.928 -0.127 -3.275 1.00 12.00 C ATOM 630 CE1 PHE A 40 -17.378 0.466 -0.594 1.00 12.00 C ATOM 631 CE2 PHE A 40 -18.976 0.152 -2.390 1.00 12.00 C ATOM 632 CZ PHE A 40 -18.701 0.448 -1.049 1.00 12.00 C ATOM 0 H PHE A 40 -15.767 2.028 -4.619 1.00 12.00 H new ATOM 0 HA PHE A 40 -13.915 0.611 -2.722 1.00 12.00 H new ATOM 0 HB2 PHE A 40 -15.859 -0.485 -4.800 1.00 12.00 H new ATOM 0 HB3 PHE A 40 -15.038 -1.390 -3.543 1.00 12.00 H new ATOM 0 HD1 PHE A 40 -15.308 0.198 -1.124 1.00 12.00 H new ATOM 0 HD2 PHE A 40 -18.141 -0.356 -4.309 1.00 12.00 H new ATOM 0 HE1 PHE A 40 -17.166 0.696 0.440 1.00 12.00 H new ATOM 0 HE2 PHE A 40 -19.997 0.139 -2.741 1.00 12.00 H new ATOM 0 HZ PHE A 40 -19.510 0.662 -0.366 1.00 12.00 H new ATOM 642 N ILE A 41 -12.377 -0.385 -4.643 1.00 12.00 N ATOM 643 CA ILE A 41 -11.335 -0.571 -5.713 1.00 12.00 C ATOM 644 C ILE A 41 -11.176 -2.060 -6.050 1.00 12.00 C ATOM 645 O ILE A 41 -10.886 -2.869 -5.182 1.00 12.00 O ATOM 646 CB ILE A 41 -9.998 -0.005 -5.209 1.00 12.00 C ATOM 647 CG1 ILE A 41 -10.159 1.482 -4.850 1.00 12.00 C ATOM 648 CG2 ILE A 41 -8.915 -0.156 -6.285 1.00 12.00 C ATOM 649 CD1 ILE A 41 -10.602 2.286 -6.080 1.00 12.00 C ATOM 0 H ILE A 41 -12.257 -0.968 -3.815 1.00 12.00 H new ATOM 0 HA ILE A 41 -11.645 -0.044 -6.616 1.00 12.00 H new ATOM 0 HB ILE A 41 -9.698 -0.563 -4.322 1.00 12.00 H new ATOM 0 HG12 ILE A 41 -10.893 1.592 -4.052 1.00 12.00 H new ATOM 0 HG13 ILE A 41 -9.216 1.875 -4.471 1.00 12.00 H new ATOM 0 HG21 ILE A 41 -7.974 0.249 -5.913 1.00 12.00 H new ATOM 0 HG22 ILE A 41 -8.786 -1.211 -6.526 1.00 12.00 H new ATOM 0 HG23 ILE A 41 -9.215 0.386 -7.182 1.00 12.00 H new ATOM 0 HD11 ILE A 41 -10.711 3.336 -5.808 1.00 12.00 H new ATOM 0 HD12 ILE A 41 -9.853 2.191 -6.866 1.00 12.00 H new ATOM 0 HD13 ILE A 41 -11.557 1.903 -6.440 1.00 12.00 H new ATOM 661 N ILE A 42 -11.338 -2.410 -7.314 1.00 12.00 N ATOM 662 CA ILE A 42 -11.172 -3.843 -7.749 1.00 12.00 C ATOM 663 C ILE A 42 -9.854 -3.964 -8.510 1.00 12.00 C ATOM 664 O ILE A 42 -9.716 -3.439 -9.602 1.00 12.00 O ATOM 665 CB ILE A 42 -12.311 -4.296 -8.679 1.00 12.00 C ATOM 666 CG1 ILE A 42 -13.652 -3.686 -8.247 1.00 12.00 C ATOM 667 CG2 ILE A 42 -12.413 -5.822 -8.629 1.00 12.00 C ATOM 668 CD1 ILE A 42 -14.738 -4.050 -9.271 1.00 12.00 C ATOM 0 H ILE A 42 -11.579 -1.762 -8.064 1.00 12.00 H new ATOM 0 HA ILE A 42 -11.186 -4.473 -6.860 1.00 12.00 H new ATOM 0 HB ILE A 42 -12.091 -3.959 -9.692 1.00 12.00 H new ATOM 0 HG12 ILE A 42 -13.930 -4.056 -7.260 1.00 12.00 H new ATOM 0 HG13 ILE A 42 -13.561 -2.603 -8.168 1.00 12.00 H new ATOM 0 HG21 ILE A 42 -13.218 -6.155 -9.285 1.00 12.00 H new ATOM 0 HG22 ILE A 42 -11.471 -6.261 -8.959 1.00 12.00 H new ATOM 0 HG23 ILE A 42 -12.623 -6.139 -7.608 1.00 12.00 H new ATOM 0 HD11 ILE A 42 -15.689 -3.616 -8.962 1.00 12.00 H new ATOM 0 HD12 ILE A 42 -14.461 -3.658 -10.250 1.00 12.00 H new ATOM 0 HD13 ILE A 42 -14.835 -5.134 -9.328 1.00 12.00 H new ATOM 680 N SER A 43 -8.894 -4.651 -7.936 1.00 12.00 N ATOM 681 CA SER A 43 -7.562 -4.827 -8.596 1.00 12.00 C ATOM 682 C SER A 43 -6.649 -5.631 -7.673 1.00 12.00 C ATOM 683 O SER A 43 -6.785 -5.575 -6.462 1.00 12.00 O ATOM 684 CB SER A 43 -6.929 -3.456 -8.854 1.00 12.00 C ATOM 685 OG SER A 43 -5.651 -3.634 -9.452 1.00 12.00 O ATOM 0 H SER A 43 -8.979 -5.103 -7.026 1.00 12.00 H new ATOM 0 HA SER A 43 -7.693 -5.352 -9.542 1.00 12.00 H new ATOM 0 HB2 SER A 43 -7.570 -2.864 -9.507 1.00 12.00 H new ATOM 0 HB3 SER A 43 -6.832 -2.905 -7.918 1.00 12.00 H new ATOM 0 HG SER A 43 -5.520 -2.960 -10.151 1.00 12.00 H new ATOM 691 N SER A 44 -5.714 -6.368 -8.240 1.00 12.00 N ATOM 692 CA SER A 44 -4.761 -7.185 -7.413 1.00 12.00 C ATOM 693 C SER A 44 -4.068 -6.267 -6.386 1.00 12.00 C ATOM 694 O SER A 44 -3.425 -5.292 -6.735 1.00 12.00 O ATOM 695 CB SER A 44 -3.736 -7.876 -8.329 1.00 12.00 C ATOM 696 OG SER A 44 -3.556 -7.120 -9.523 1.00 12.00 O ATOM 0 H SER A 44 -5.571 -6.438 -9.247 1.00 12.00 H new ATOM 0 HA SER A 44 -5.303 -7.961 -6.873 1.00 12.00 H new ATOM 0 HB2 SER A 44 -2.784 -7.980 -7.809 1.00 12.00 H new ATOM 0 HB3 SER A 44 -4.077 -8.882 -8.574 1.00 12.00 H new ATOM 0 HG SER A 44 -3.323 -7.723 -10.260 1.00 12.00 H new ATOM 702 N ALA A 45 -4.262 -6.569 -5.120 1.00 12.00 N ATOM 703 CA ALA A 45 -3.706 -5.743 -3.992 1.00 12.00 C ATOM 704 C ALA A 45 -2.254 -5.293 -4.218 1.00 12.00 C ATOM 705 O ALA A 45 -1.982 -4.106 -4.272 1.00 12.00 O ATOM 706 CB ALA A 45 -3.769 -6.562 -2.703 1.00 12.00 C ATOM 0 H ALA A 45 -4.800 -7.379 -4.812 1.00 12.00 H new ATOM 0 HA ALA A 45 -4.314 -4.841 -3.931 1.00 12.00 H new ATOM 0 HB1 ALA A 45 -3.368 -5.973 -1.878 1.00 12.00 H new ATOM 0 HB2 ALA A 45 -4.805 -6.827 -2.490 1.00 12.00 H new ATOM 0 HB3 ALA A 45 -3.179 -7.471 -2.820 1.00 12.00 H new ATOM 712 N THR A 46 -1.326 -6.222 -4.279 1.00 12.00 N ATOM 713 CA THR A 46 0.125 -5.855 -4.431 1.00 12.00 C ATOM 714 C THR A 46 0.383 -5.110 -5.747 1.00 12.00 C ATOM 715 O THR A 46 1.365 -4.393 -5.861 1.00 12.00 O ATOM 716 CB THR A 46 0.985 -7.116 -4.339 1.00 12.00 C ATOM 717 OG1 THR A 46 2.344 -6.788 -4.599 1.00 12.00 O ATOM 718 CG2 THR A 46 0.508 -8.155 -5.356 1.00 12.00 C ATOM 0 H THR A 46 -1.511 -7.224 -4.230 1.00 12.00 H new ATOM 0 HA THR A 46 0.397 -5.178 -3.621 1.00 12.00 H new ATOM 0 HB THR A 46 0.895 -7.532 -3.336 1.00 12.00 H new ATOM 0 HG1 THR A 46 2.893 -7.597 -4.538 1.00 12.00 H new ATOM 0 HG21 THR A 46 1.128 -9.049 -5.281 1.00 12.00 H new ATOM 0 HG22 THR A 46 -0.530 -8.415 -5.150 1.00 12.00 H new ATOM 0 HG23 THR A 46 0.586 -7.742 -6.362 1.00 12.00 H new ATOM 726 N THR A 47 -0.493 -5.241 -6.719 1.00 12.00 N ATOM 727 CA THR A 47 -0.307 -4.500 -8.012 1.00 12.00 C ATOM 728 C THR A 47 -0.427 -3.010 -7.699 1.00 12.00 C ATOM 729 O THR A 47 0.305 -2.190 -8.238 1.00 12.00 O ATOM 730 CB THR A 47 -1.352 -4.940 -9.045 1.00 12.00 C ATOM 731 OG1 THR A 47 -1.273 -6.348 -9.191 1.00 12.00 O ATOM 732 CG2 THR A 47 -1.062 -4.275 -10.395 1.00 12.00 C ATOM 0 H THR A 47 -1.326 -5.827 -6.673 1.00 12.00 H new ATOM 0 HA THR A 47 0.669 -4.716 -8.446 1.00 12.00 H new ATOM 0 HB THR A 47 -2.348 -4.647 -8.711 1.00 12.00 H new ATOM 0 HG1 THR A 47 -2.127 -6.690 -9.529 1.00 12.00 H new ATOM 0 HG21 THR A 47 -1.808 -4.592 -11.124 1.00 12.00 H new ATOM 0 HG22 THR A 47 -1.101 -3.192 -10.283 1.00 12.00 H new ATOM 0 HG23 THR A 47 -0.070 -4.568 -10.739 1.00 12.00 H new ATOM 740 N VAL A 48 -1.305 -2.673 -6.774 1.00 12.00 N ATOM 741 CA VAL A 48 -1.450 -1.256 -6.339 1.00 12.00 C ATOM 742 C VAL A 48 -0.199 -0.903 -5.527 1.00 12.00 C ATOM 743 O VAL A 48 0.300 0.207 -5.586 1.00 12.00 O ATOM 744 CB VAL A 48 -2.703 -1.096 -5.468 1.00 12.00 C ATOM 745 CG1 VAL A 48 -2.960 0.392 -5.219 1.00 12.00 C ATOM 746 CG2 VAL A 48 -3.913 -1.714 -6.185 1.00 12.00 C ATOM 0 H VAL A 48 -1.927 -3.330 -6.304 1.00 12.00 H new ATOM 0 HA VAL A 48 -1.554 -0.596 -7.200 1.00 12.00 H new ATOM 0 HB VAL A 48 -2.551 -1.605 -4.516 1.00 12.00 H new ATOM 0 HG11 VAL A 48 -3.850 0.509 -4.600 1.00 12.00 H new ATOM 0 HG12 VAL A 48 -2.102 0.829 -4.707 1.00 12.00 H new ATOM 0 HG13 VAL A 48 -3.111 0.900 -6.172 1.00 12.00 H new ATOM 0 HG21 VAL A 48 -4.802 -1.599 -5.564 1.00 12.00 H new ATOM 0 HG22 VAL A 48 -4.068 -1.209 -7.138 1.00 12.00 H new ATOM 0 HG23 VAL A 48 -3.729 -2.774 -6.362 1.00 12.00 H new ATOM 756 N LYS A 49 0.326 -1.869 -4.793 1.00 12.00 N ATOM 757 CA LYS A 49 1.568 -1.638 -3.993 1.00 12.00 C ATOM 758 C LYS A 49 2.717 -1.295 -4.956 1.00 12.00 C ATOM 759 O LYS A 49 3.703 -0.695 -4.559 1.00 12.00 O ATOM 760 CB LYS A 49 1.918 -2.907 -3.198 1.00 12.00 C ATOM 761 CG LYS A 49 3.163 -2.660 -2.328 1.00 12.00 C ATOM 762 CD LYS A 49 4.211 -3.752 -2.592 1.00 12.00 C ATOM 763 CE LYS A 49 4.130 -4.826 -1.503 1.00 12.00 C ATOM 764 NZ LYS A 49 5.091 -4.499 -0.412 1.00 12.00 N ATOM 0 H LYS A 49 -0.061 -2.810 -4.719 1.00 12.00 H new ATOM 0 HA LYS A 49 1.412 -0.817 -3.294 1.00 12.00 H new ATOM 0 HB2 LYS A 49 1.076 -3.195 -2.568 1.00 12.00 H new ATOM 0 HB3 LYS A 49 2.102 -3.735 -3.882 1.00 12.00 H new ATOM 0 HG2 LYS A 49 3.583 -1.679 -2.550 1.00 12.00 H new ATOM 0 HG3 LYS A 49 2.886 -2.657 -1.274 1.00 12.00 H new ATOM 0 HD2 LYS A 49 4.043 -4.201 -3.571 1.00 12.00 H new ATOM 0 HD3 LYS A 49 5.209 -3.314 -2.610 1.00 12.00 H new ATOM 0 HE2 LYS A 49 3.117 -4.881 -1.105 1.00 12.00 H new ATOM 0 HE3 LYS A 49 4.360 -5.805 -1.924 1.00 12.00 H new ATOM 0 HZ1 LYS A 49 5.037 -5.228 0.328 1.00 12.00 H new ATOM 0 HZ2 LYS A 49 6.056 -4.468 -0.797 1.00 12.00 H new ATOM 0 HZ3 LYS A 49 4.851 -3.573 -0.004 1.00 12.00 H new ATOM 778 N ALA A 50 2.589 -1.674 -6.223 1.00 12.00 N ATOM 779 CA ALA A 50 3.657 -1.381 -7.228 1.00 12.00 C ATOM 780 C ALA A 50 3.526 0.068 -7.712 1.00 12.00 C ATOM 781 O ALA A 50 4.524 0.742 -7.903 1.00 12.00 O ATOM 782 CB ALA A 50 3.540 -2.352 -8.413 1.00 12.00 C ATOM 0 H ALA A 50 1.782 -2.176 -6.593 1.00 12.00 H new ATOM 0 HA ALA A 50 4.635 -1.512 -6.765 1.00 12.00 H new ATOM 0 HB1 ALA A 50 4.321 -2.133 -9.141 1.00 12.00 H new ATOM 0 HB2 ALA A 50 3.653 -3.376 -8.057 1.00 12.00 H new ATOM 0 HB3 ALA A 50 2.563 -2.237 -8.883 1.00 12.00 H new ATOM 788 N ILE A 51 2.307 0.556 -7.905 1.00 12.00 N ATOM 789 CA ILE A 51 2.122 1.972 -8.369 1.00 12.00 C ATOM 790 C ILE A 51 2.646 2.946 -7.294 1.00 12.00 C ATOM 791 O ILE A 51 2.972 4.084 -7.590 1.00 12.00 O ATOM 792 CB ILE A 51 0.631 2.241 -8.667 1.00 12.00 C ATOM 793 CG1 ILE A 51 0.472 3.638 -9.270 1.00 12.00 C ATOM 794 CG2 ILE A 51 -0.213 2.140 -7.390 1.00 12.00 C ATOM 795 CD1 ILE A 51 0.814 3.588 -10.759 1.00 12.00 C ATOM 0 H ILE A 51 1.443 0.033 -7.760 1.00 12.00 H new ATOM 0 HA ILE A 51 2.689 2.127 -9.287 1.00 12.00 H new ATOM 0 HB ILE A 51 0.282 1.488 -9.373 1.00 12.00 H new ATOM 0 HG12 ILE A 51 -0.550 3.992 -9.132 1.00 12.00 H new ATOM 0 HG13 ILE A 51 1.126 4.344 -8.758 1.00 12.00 H new ATOM 0 HG21 ILE A 51 -1.259 2.334 -7.629 1.00 12.00 H new ATOM 0 HG22 ILE A 51 -0.117 1.140 -6.968 1.00 12.00 H new ATOM 0 HG23 ILE A 51 0.136 2.875 -6.664 1.00 12.00 H new ATOM 0 HD11 ILE A 51 0.702 4.582 -11.192 1.00 12.00 H new ATOM 0 HD12 ILE A 51 1.843 3.252 -10.885 1.00 12.00 H new ATOM 0 HD13 ILE A 51 0.141 2.894 -11.264 1.00 12.00 H new ATOM 807 N CYS A 52 2.728 2.500 -6.049 1.00 12.00 N ATOM 808 CA CYS A 52 3.221 3.383 -4.944 1.00 12.00 C ATOM 809 C CYS A 52 4.657 2.992 -4.546 1.00 12.00 C ATOM 810 O CYS A 52 5.083 3.235 -3.424 1.00 12.00 O ATOM 811 CB CYS A 52 2.290 3.239 -3.729 1.00 12.00 C ATOM 812 SG CYS A 52 1.926 4.869 -3.021 1.00 12.00 S ATOM 0 H CYS A 52 2.471 1.557 -5.759 1.00 12.00 H new ATOM 0 HA CYS A 52 3.224 4.418 -5.287 1.00 12.00 H new ATOM 0 HB2 CYS A 52 1.363 2.749 -4.028 1.00 12.00 H new ATOM 0 HB3 CYS A 52 2.758 2.604 -2.977 1.00 12.00 H new ATOM 817 N THR A 53 5.403 2.399 -5.458 1.00 12.00 N ATOM 818 CA THR A 53 6.817 1.994 -5.150 1.00 12.00 C ATOM 819 C THR A 53 7.762 3.139 -5.521 1.00 12.00 C ATOM 820 O THR A 53 7.873 3.500 -6.681 1.00 12.00 O ATOM 821 CB THR A 53 7.190 0.745 -5.960 1.00 12.00 C ATOM 822 OG1 THR A 53 6.192 -0.250 -5.783 1.00 12.00 O ATOM 823 CG2 THR A 53 8.538 0.206 -5.475 1.00 12.00 C ATOM 0 H THR A 53 5.091 2.179 -6.404 1.00 12.00 H new ATOM 0 HA THR A 53 6.905 1.772 -4.087 1.00 12.00 H new ATOM 0 HB THR A 53 7.261 1.005 -7.016 1.00 12.00 H new ATOM 0 HG1 THR A 53 5.538 0.057 -5.121 1.00 12.00 H new ATOM 0 HG21 THR A 53 8.803 -0.681 -6.050 1.00 12.00 H new ATOM 0 HG22 THR A 53 9.305 0.969 -5.610 1.00 12.00 H new ATOM 0 HG23 THR A 53 8.467 -0.054 -4.419 1.00 12.00 H new ATOM 831 N GLY A 54 8.440 3.710 -4.541 1.00 12.00 N ATOM 832 CA GLY A 54 9.384 4.841 -4.821 1.00 12.00 C ATOM 833 C GLY A 54 10.376 5.016 -3.661 1.00 12.00 C ATOM 834 O GLY A 54 11.575 4.870 -3.844 1.00 12.00 O ATOM 0 H GLY A 54 8.376 3.437 -3.560 1.00 12.00 H new ATOM 0 HA2 GLY A 54 9.928 4.648 -5.746 1.00 12.00 H new ATOM 0 HA3 GLY A 54 8.822 5.763 -4.968 1.00 12.00 H new ATOM 838 N VAL A 55 9.886 5.343 -2.479 1.00 12.00 N ATOM 839 CA VAL A 55 10.784 5.548 -1.294 1.00 12.00 C ATOM 840 C VAL A 55 9.930 5.442 -0.002 1.00 12.00 C ATOM 841 O VAL A 55 8.818 4.937 -0.051 1.00 12.00 O ATOM 842 CB VAL A 55 11.488 6.925 -1.461 1.00 12.00 C ATOM 843 CG1 VAL A 55 10.587 8.087 -1.016 1.00 12.00 C ATOM 844 CG2 VAL A 55 12.799 6.948 -0.659 1.00 12.00 C ATOM 0 H VAL A 55 8.893 5.477 -2.288 1.00 12.00 H new ATOM 0 HA VAL A 55 11.562 4.788 -1.222 1.00 12.00 H new ATOM 0 HB VAL A 55 11.703 7.056 -2.522 1.00 12.00 H new ATOM 0 HG11 VAL A 55 11.117 9.030 -1.149 1.00 12.00 H new ATOM 0 HG12 VAL A 55 9.678 8.094 -1.618 1.00 12.00 H new ATOM 0 HG13 VAL A 55 10.326 7.963 0.035 1.00 12.00 H new ATOM 0 HG21 VAL A 55 13.284 7.916 -0.783 1.00 12.00 H new ATOM 0 HG22 VAL A 55 12.583 6.782 0.396 1.00 12.00 H new ATOM 0 HG23 VAL A 55 13.461 6.162 -1.021 1.00 12.00 H new ATOM 854 N ILE A 56 10.430 5.890 1.146 1.00 12.00 N ATOM 855 CA ILE A 56 9.641 5.793 2.430 1.00 12.00 C ATOM 856 C ILE A 56 8.751 7.047 2.621 1.00 12.00 C ATOM 857 O ILE A 56 8.426 7.423 3.734 1.00 12.00 O ATOM 858 CB ILE A 56 10.633 5.647 3.602 1.00 12.00 C ATOM 859 CG1 ILE A 56 9.873 5.457 4.920 1.00 12.00 C ATOM 860 CG2 ILE A 56 11.526 6.890 3.701 1.00 12.00 C ATOM 861 CD1 ILE A 56 10.760 4.714 5.923 1.00 12.00 C ATOM 0 H ILE A 56 11.351 6.318 1.243 1.00 12.00 H new ATOM 0 HA ILE A 56 8.982 4.925 2.393 1.00 12.00 H new ATOM 0 HB ILE A 56 11.256 4.772 3.418 1.00 12.00 H new ATOM 0 HG12 ILE A 56 9.581 6.426 5.326 1.00 12.00 H new ATOM 0 HG13 ILE A 56 8.956 4.895 4.745 1.00 12.00 H new ATOM 0 HG21 ILE A 56 12.221 6.773 4.532 1.00 12.00 H new ATOM 0 HG22 ILE A 56 12.086 7.010 2.774 1.00 12.00 H new ATOM 0 HG23 ILE A 56 10.906 7.771 3.867 1.00 12.00 H new ATOM 0 HD11 ILE A 56 10.218 4.580 6.859 1.00 12.00 H new ATOM 0 HD12 ILE A 56 11.030 3.739 5.517 1.00 12.00 H new ATOM 0 HD13 ILE A 56 11.665 5.293 6.108 1.00 12.00 H new ATOM 873 N ASN A 57 8.357 7.675 1.532 1.00 12.00 N ATOM 874 CA ASN A 57 7.489 8.909 1.573 1.00 12.00 C ATOM 875 C ASN A 57 7.409 9.446 0.143 1.00 12.00 C ATOM 876 O ASN A 57 8.426 9.798 -0.433 1.00 12.00 O ATOM 877 CB ASN A 57 8.131 9.981 2.457 1.00 12.00 C ATOM 878 CG ASN A 57 7.059 10.967 2.923 1.00 12.00 C ATOM 879 OD1 ASN A 57 6.278 10.665 3.803 1.00 12.00 O ATOM 880 ND2 ASN A 57 6.990 12.145 2.366 1.00 12.00 N ATOM 0 H ASN A 57 8.607 7.376 0.589 1.00 12.00 H new ATOM 0 HA ASN A 57 6.505 8.665 1.974 1.00 12.00 H new ATOM 0 HB2 ASN A 57 8.612 9.517 3.318 1.00 12.00 H new ATOM 0 HB3 ASN A 57 8.908 10.507 1.903 1.00 12.00 H new ATOM 0 HD21 ASN A 57 6.280 12.812 2.670 1.00 12.00 H new ATOM 0 HD22 ASN A 57 7.646 12.399 1.627 1.00 12.00 H new ATOM 887 N MET A 58 6.228 9.484 -0.444 1.00 12.00 N ATOM 888 CA MET A 58 6.113 9.973 -1.861 1.00 12.00 C ATOM 889 C MET A 58 4.683 10.411 -2.199 1.00 12.00 C ATOM 890 O MET A 58 3.768 10.295 -1.402 1.00 12.00 O ATOM 891 CB MET A 58 6.519 8.832 -2.804 1.00 12.00 C ATOM 892 CG MET A 58 7.246 9.394 -4.030 1.00 12.00 C ATOM 893 SD MET A 58 6.394 8.853 -5.532 1.00 12.00 S ATOM 894 CE MET A 58 7.872 8.531 -6.525 1.00 12.00 C ATOM 0 H MET A 58 5.350 9.201 -0.008 1.00 12.00 H new ATOM 0 HA MET A 58 6.766 10.837 -1.980 1.00 12.00 H new ATOM 0 HB2 MET A 58 7.166 8.129 -2.279 1.00 12.00 H new ATOM 0 HB3 MET A 58 5.635 8.278 -3.119 1.00 12.00 H new ATOM 0 HG2 MET A 58 7.271 10.483 -3.985 1.00 12.00 H new ATOM 0 HG3 MET A 58 8.281 9.052 -4.042 1.00 12.00 H new ATOM 0 HE1 MET A 58 7.582 8.080 -7.474 1.00 12.00 H new ATOM 0 HE2 MET A 58 8.395 9.469 -6.714 1.00 12.00 H new ATOM 0 HE3 MET A 58 8.531 7.850 -5.986 1.00 12.00 H new ATOM 904 N ASN A 59 4.513 10.883 -3.414 1.00 12.00 N ATOM 905 CA ASN A 59 3.178 11.320 -3.927 1.00 12.00 C ATOM 906 C ASN A 59 3.079 10.840 -5.377 1.00 12.00 C ATOM 907 O ASN A 59 3.818 11.302 -6.231 1.00 12.00 O ATOM 908 CB ASN A 59 3.075 12.848 -3.875 1.00 12.00 C ATOM 909 CG ASN A 59 4.289 13.467 -4.571 1.00 12.00 C ATOM 910 OD1 ASN A 59 5.351 13.566 -3.988 1.00 12.00 O ATOM 911 ND2 ASN A 59 4.180 13.889 -5.801 1.00 12.00 N ATOM 0 H ASN A 59 5.271 10.985 -4.089 1.00 12.00 H new ATOM 0 HA ASN A 59 2.372 10.905 -3.322 1.00 12.00 H new ATOM 0 HB2 ASN A 59 2.157 13.178 -4.361 1.00 12.00 H new ATOM 0 HB3 ASN A 59 3.026 13.184 -2.839 1.00 12.00 H new ATOM 0 HD21 ASN A 59 4.985 14.301 -6.272 1.00 12.00 H new ATOM 0 HD22 ASN A 59 3.289 13.807 -6.291 1.00 12.00 H new ATOM 918 N VAL A 60 2.200 9.894 -5.649 1.00 12.00 N ATOM 919 CA VAL A 60 2.074 9.339 -7.035 1.00 12.00 C ATOM 920 C VAL A 60 0.595 9.090 -7.349 1.00 12.00 C ATOM 921 O VAL A 60 -0.239 9.148 -6.463 1.00 12.00 O ATOM 922 CB VAL A 60 2.875 8.027 -7.092 1.00 12.00 C ATOM 923 CG1 VAL A 60 2.335 7.054 -6.043 1.00 12.00 C ATOM 924 CG2 VAL A 60 2.768 7.392 -8.481 1.00 12.00 C ATOM 0 H VAL A 60 1.564 9.484 -4.965 1.00 12.00 H new ATOM 0 HA VAL A 60 2.464 10.038 -7.775 1.00 12.00 H new ATOM 0 HB VAL A 60 3.923 8.247 -6.887 1.00 12.00 H new ATOM 0 HG11 VAL A 60 2.902 6.124 -6.083 1.00 12.00 H new ATOM 0 HG12 VAL A 60 2.433 7.496 -5.052 1.00 12.00 H new ATOM 0 HG13 VAL A 60 1.284 6.847 -6.246 1.00 12.00 H new ATOM 0 HG21 VAL A 60 3.341 6.465 -8.502 1.00 12.00 H new ATOM 0 HG22 VAL A 60 1.723 7.178 -8.704 1.00 12.00 H new ATOM 0 HG23 VAL A 60 3.164 8.081 -9.227 1.00 12.00 H new ATOM 934 N LEU A 61 0.269 8.834 -8.601 1.00 12.00 N ATOM 935 CA LEU A 61 -1.157 8.601 -8.983 1.00 12.00 C ATOM 936 C LEU A 61 -1.281 7.420 -9.943 1.00 12.00 C ATOM 937 O LEU A 61 -0.611 7.377 -10.961 1.00 12.00 O ATOM 938 CB LEU A 61 -1.699 9.834 -9.705 1.00 12.00 C ATOM 939 CG LEU A 61 -1.578 11.072 -8.817 1.00 12.00 C ATOM 940 CD1 LEU A 61 -0.261 11.794 -9.109 1.00 12.00 C ATOM 941 CD2 LEU A 61 -2.743 12.009 -9.124 1.00 12.00 C ATOM 0 H LEU A 61 0.935 8.778 -9.371 1.00 12.00 H new ATOM 0 HA LEU A 61 -1.717 8.397 -8.070 1.00 12.00 H new ATOM 0 HB2 LEU A 61 -1.149 9.990 -10.633 1.00 12.00 H new ATOM 0 HB3 LEU A 61 -2.743 9.674 -9.976 1.00 12.00 H new ATOM 0 HG LEU A 61 -1.598 10.775 -7.768 1.00 12.00 H new ATOM 0 HD11 LEU A 61 -0.181 12.676 -8.473 1.00 12.00 H new ATOM 0 HD12 LEU A 61 0.574 11.123 -8.907 1.00 12.00 H new ATOM 0 HD13 LEU A 61 -0.237 12.098 -10.155 1.00 12.00 H new ATOM 0 HD21 LEU A 61 -2.670 12.898 -8.497 1.00 12.00 H new ATOM 0 HD22 LEU A 61 -2.708 12.301 -10.174 1.00 12.00 H new ATOM 0 HD23 LEU A 61 -3.684 11.498 -8.921 1.00 12.00 H new ATOM 953 N SER A 62 -2.180 6.494 -9.652 1.00 12.00 N ATOM 954 CA SER A 62 -2.424 5.331 -10.581 1.00 12.00 C ATOM 955 C SER A 62 -2.855 5.931 -11.930 1.00 12.00 C ATOM 956 O SER A 62 -4.024 6.240 -12.130 1.00 12.00 O ATOM 957 CB SER A 62 -3.537 4.407 -10.039 1.00 12.00 C ATOM 958 OG SER A 62 -4.227 5.020 -8.954 1.00 12.00 O ATOM 0 H SER A 62 -2.755 6.495 -8.809 1.00 12.00 H new ATOM 0 HA SER A 62 -1.522 4.726 -10.677 1.00 12.00 H new ATOM 0 HB2 SER A 62 -4.242 4.174 -10.837 1.00 12.00 H new ATOM 0 HB3 SER A 62 -3.103 3.463 -9.711 1.00 12.00 H new ATOM 0 HG SER A 62 -4.690 4.333 -8.431 1.00 12.00 H new ATOM 964 N THR A 63 -1.904 6.145 -12.824 1.00 12.00 N ATOM 965 CA THR A 63 -2.207 6.778 -14.146 1.00 12.00 C ATOM 966 C THR A 63 -2.776 5.746 -15.115 1.00 12.00 C ATOM 967 O THR A 63 -3.731 6.022 -15.824 1.00 12.00 O ATOM 968 CB THR A 63 -0.925 7.387 -14.731 1.00 12.00 C ATOM 969 OG1 THR A 63 0.172 6.515 -14.486 1.00 12.00 O ATOM 970 CG2 THR A 63 -0.650 8.749 -14.079 1.00 12.00 C ATOM 0 H THR A 63 -0.923 5.903 -12.685 1.00 12.00 H new ATOM 0 HA THR A 63 -2.949 7.562 -13.998 1.00 12.00 H new ATOM 0 HB THR A 63 -1.052 7.521 -15.805 1.00 12.00 H new ATOM 0 HG1 THR A 63 0.989 6.904 -14.861 1.00 12.00 H new ATOM 0 HG21 THR A 63 0.261 9.176 -14.498 1.00 12.00 H new ATOM 0 HG22 THR A 63 -1.487 9.420 -14.271 1.00 12.00 H new ATOM 0 HG23 THR A 63 -0.528 8.620 -13.004 1.00 12.00 H new ATOM 978 N THR A 64 -2.199 4.561 -15.151 1.00 12.00 N ATOM 979 CA THR A 64 -2.698 3.488 -16.079 1.00 12.00 C ATOM 980 C THR A 64 -4.213 3.301 -15.875 1.00 12.00 C ATOM 981 O THR A 64 -4.999 3.977 -16.517 1.00 12.00 O ATOM 982 CB THR A 64 -1.946 2.170 -15.817 1.00 12.00 C ATOM 983 OG1 THR A 64 -1.611 2.063 -14.433 1.00 12.00 O ATOM 984 CG2 THR A 64 -0.677 2.129 -16.674 1.00 12.00 C ATOM 0 H THR A 64 -1.401 4.291 -14.575 1.00 12.00 H new ATOM 0 HA THR A 64 -2.514 3.784 -17.112 1.00 12.00 H new ATOM 0 HB THR A 64 -2.586 1.329 -16.084 1.00 12.00 H new ATOM 0 HG1 THR A 64 -1.135 1.221 -14.276 1.00 12.00 H new ATOM 0 HG21 THR A 64 -0.143 1.197 -16.490 1.00 12.00 H new ATOM 0 HG22 THR A 64 -0.948 2.190 -17.728 1.00 12.00 H new ATOM 0 HG23 THR A 64 -0.036 2.971 -16.415 1.00 12.00 H new ATOM 992 N ARG A 65 -4.623 2.414 -14.981 1.00 12.00 N ATOM 993 CA ARG A 65 -6.087 2.188 -14.715 1.00 12.00 C ATOM 994 C ARG A 65 -6.251 0.970 -13.801 1.00 12.00 C ATOM 995 O ARG A 65 -6.168 -0.165 -14.248 1.00 12.00 O ATOM 996 CB ARG A 65 -6.845 1.929 -16.025 1.00 12.00 C ATOM 997 CG ARG A 65 -6.170 0.796 -16.798 1.00 12.00 C ATOM 998 CD ARG A 65 -6.482 0.938 -18.289 1.00 12.00 C ATOM 999 NE ARG A 65 -6.554 -0.416 -18.909 1.00 12.00 N ATOM 1000 CZ ARG A 65 -5.496 -1.179 -18.930 1.00 12.00 C ATOM 1001 NH1 ARG A 65 -4.367 -0.715 -19.392 1.00 12.00 N ATOM 1002 NH2 ARG A 65 -5.567 -2.402 -18.486 1.00 12.00 N ATOM 0 H ARG A 65 -3.997 1.835 -14.422 1.00 12.00 H new ATOM 0 HA ARG A 65 -6.495 3.080 -14.240 1.00 12.00 H new ATOM 0 HB2 ARG A 65 -7.881 1.668 -15.811 1.00 12.00 H new ATOM 0 HB3 ARG A 65 -6.863 2.835 -16.631 1.00 12.00 H new ATOM 0 HG2 ARG A 65 -5.092 0.823 -16.637 1.00 12.00 H new ATOM 0 HG3 ARG A 65 -6.522 -0.168 -16.432 1.00 12.00 H new ATOM 0 HD2 ARG A 65 -7.427 1.464 -18.426 1.00 12.00 H new ATOM 0 HD3 ARG A 65 -5.712 1.534 -18.778 1.00 12.00 H new ATOM 0 HE ARG A 65 -7.429 -0.745 -19.316 1.00 12.00 H new ATOM 0 HH11 ARG A 65 -4.312 0.244 -19.736 1.00 12.00 H new ATOM 0 HH12 ARG A 65 -3.539 -1.311 -19.409 1.00 12.00 H new ATOM 0 HH21 ARG A 65 -6.449 -2.762 -18.122 1.00 12.00 H new ATOM 0 HH22 ARG A 65 -4.740 -2.999 -18.502 1.00 12.00 H new ATOM 1016 N PHE A 66 -6.476 1.201 -12.527 1.00 12.00 N ATOM 1017 CA PHE A 66 -6.647 0.057 -11.562 1.00 12.00 C ATOM 1018 C PHE A 66 -8.159 -0.220 -11.341 1.00 12.00 C ATOM 1019 O PHE A 66 -8.616 -0.354 -10.223 1.00 12.00 O ATOM 1020 CB PHE A 66 -5.943 0.414 -10.240 1.00 12.00 C ATOM 1021 CG PHE A 66 -4.440 0.392 -10.446 1.00 12.00 C ATOM 1022 CD1 PHE A 66 -3.802 1.477 -11.067 1.00 12.00 C ATOM 1023 CD2 PHE A 66 -3.681 -0.714 -10.025 1.00 12.00 C ATOM 1024 CE1 PHE A 66 -2.417 1.456 -11.268 1.00 12.00 C ATOM 1025 CE2 PHE A 66 -2.295 -0.728 -10.227 1.00 12.00 C ATOM 1026 CZ PHE A 66 -1.665 0.355 -10.849 1.00 12.00 C ATOM 0 H PHE A 66 -6.549 2.130 -12.111 1.00 12.00 H new ATOM 0 HA PHE A 66 -6.197 -0.851 -11.964 1.00 12.00 H new ATOM 0 HB2 PHE A 66 -6.260 1.400 -9.901 1.00 12.00 H new ATOM 0 HB3 PHE A 66 -6.225 -0.296 -9.462 1.00 12.00 H new ATOM 0 HD1 PHE A 66 -4.381 2.330 -11.390 1.00 12.00 H new ATOM 0 HD2 PHE A 66 -4.166 -1.552 -9.546 1.00 12.00 H new ATOM 0 HE1 PHE A 66 -1.929 2.292 -11.747 1.00 12.00 H new ATOM 0 HE2 PHE A 66 -1.712 -1.577 -9.902 1.00 12.00 H new ATOM 0 HZ PHE A 66 -0.597 0.340 -11.006 1.00 12.00 H new ATOM 1036 N GLN A 67 -8.913 -0.313 -12.438 1.00 12.00 N ATOM 1037 CA GLN A 67 -10.412 -0.589 -12.433 1.00 12.00 C ATOM 1038 C GLN A 67 -11.100 -0.365 -11.070 1.00 12.00 C ATOM 1039 O GLN A 67 -10.925 -1.157 -10.156 1.00 12.00 O ATOM 1040 CB GLN A 67 -10.637 -2.043 -12.858 1.00 12.00 C ATOM 1041 CG GLN A 67 -10.105 -2.259 -14.284 1.00 12.00 C ATOM 1042 CD GLN A 67 -11.256 -2.642 -15.219 1.00 12.00 C ATOM 1043 OE1 GLN A 67 -11.640 -3.793 -15.288 1.00 12.00 O ATOM 1044 NE2 GLN A 67 -11.825 -1.719 -15.945 1.00 12.00 N ATOM 0 H GLN A 67 -8.530 -0.203 -13.377 1.00 12.00 H new ATOM 0 HA GLN A 67 -10.860 0.125 -13.124 1.00 12.00 H new ATOM 0 HB2 GLN A 67 -10.131 -2.716 -12.166 1.00 12.00 H new ATOM 0 HB3 GLN A 67 -11.699 -2.283 -12.816 1.00 12.00 H new ATOM 0 HG2 GLN A 67 -9.621 -1.350 -14.642 1.00 12.00 H new ATOM 0 HG3 GLN A 67 -9.349 -3.044 -14.284 1.00 12.00 H new ATOM 0 HE21 GLN A 67 -11.502 -0.753 -15.887 1.00 12.00 H new ATOM 0 HE22 GLN A 67 -12.592 -1.963 -16.571 1.00 12.00 H new ATOM 1053 N LEU A 68 -11.892 0.694 -10.937 1.00 12.00 N ATOM 1054 CA LEU A 68 -12.592 0.949 -9.631 1.00 12.00 C ATOM 1055 C LEU A 68 -14.089 0.582 -9.683 1.00 12.00 C ATOM 1056 O LEU A 68 -14.726 0.603 -10.725 1.00 12.00 O ATOM 1057 CB LEU A 68 -12.459 2.431 -9.211 1.00 12.00 C ATOM 1058 CG LEU A 68 -12.635 3.413 -10.391 1.00 12.00 C ATOM 1059 CD1 LEU A 68 -13.911 3.115 -11.183 1.00 12.00 C ATOM 1060 CD2 LEU A 68 -12.748 4.832 -9.822 1.00 12.00 C ATOM 0 H LEU A 68 -12.077 1.379 -11.670 1.00 12.00 H new ATOM 0 HA LEU A 68 -12.104 0.308 -8.897 1.00 12.00 H new ATOM 0 HB2 LEU A 68 -13.203 2.654 -8.446 1.00 12.00 H new ATOM 0 HB3 LEU A 68 -11.480 2.588 -8.758 1.00 12.00 H new ATOM 0 HG LEU A 68 -11.779 3.310 -11.058 1.00 12.00 H new ATOM 0 HD11 LEU A 68 -14.003 3.825 -12.005 1.00 12.00 H new ATOM 0 HD12 LEU A 68 -13.863 2.102 -11.582 1.00 12.00 H new ATOM 0 HD13 LEU A 68 -14.776 3.206 -10.527 1.00 12.00 H new ATOM 0 HD21 LEU A 68 -12.873 5.543 -10.639 1.00 12.00 H new ATOM 0 HD22 LEU A 68 -13.609 4.889 -9.156 1.00 12.00 H new ATOM 0 HD23 LEU A 68 -11.842 5.074 -9.266 1.00 12.00 H new ATOM 1072 N ASN A 69 -14.637 0.297 -8.521 1.00 12.00 N ATOM 1073 CA ASN A 69 -16.101 -0.012 -8.376 1.00 12.00 C ATOM 1074 C ASN A 69 -16.660 1.098 -7.486 1.00 12.00 C ATOM 1075 O ASN A 69 -16.493 1.054 -6.280 1.00 12.00 O ATOM 1076 CB ASN A 69 -16.304 -1.366 -7.680 1.00 12.00 C ATOM 1077 CG ASN A 69 -17.685 -1.931 -8.032 1.00 12.00 C ATOM 1078 OD1 ASN A 69 -17.821 -3.215 -8.208 1.00 12.00 O flip ATOM 1079 ND2 ASN A 69 -18.651 -1.200 -8.140 1.00 12.00 N flip ATOM 0 H ASN A 69 -14.116 0.265 -7.644 1.00 12.00 H new ATOM 0 HA ASN A 69 -16.593 -0.064 -9.347 1.00 12.00 H new ATOM 0 HB2 ASN A 69 -15.526 -2.064 -7.989 1.00 12.00 H new ATOM 0 HB3 ASN A 69 -16.214 -1.247 -6.600 1.00 12.00 H new ATOM 0 HD21 ASN A 69 -18.548 -0.195 -8.003 1.00 12.00 H new ATOM 0 HD22 ASN A 69 -19.565 -1.592 -8.368 1.00 12.00 H new ATOM 1086 N THR A 70 -17.251 2.124 -8.064 1.00 12.00 N ATOM 1087 CA THR A 70 -17.728 3.277 -7.223 1.00 12.00 C ATOM 1088 C THR A 70 -19.236 3.293 -7.014 1.00 12.00 C ATOM 1089 O THR A 70 -20.014 3.309 -7.953 1.00 12.00 O ATOM 1090 CB THR A 70 -17.322 4.590 -7.905 1.00 12.00 C ATOM 1091 OG1 THR A 70 -15.948 4.530 -8.262 1.00 12.00 O ATOM 1092 CG2 THR A 70 -17.549 5.765 -6.947 1.00 12.00 C ATOM 0 H THR A 70 -17.422 2.213 -9.066 1.00 12.00 H new ATOM 0 HA THR A 70 -17.265 3.164 -6.243 1.00 12.00 H new ATOM 0 HB THR A 70 -17.928 4.734 -8.800 1.00 12.00 H new ATOM 0 HG1 THR A 70 -15.687 5.367 -8.699 1.00 12.00 H new ATOM 0 HG21 THR A 70 -17.259 6.695 -7.436 1.00 12.00 H new ATOM 0 HG22 THR A 70 -18.603 5.813 -6.673 1.00 12.00 H new ATOM 0 HG23 THR A 70 -16.947 5.624 -6.049 1.00 12.00 H new ATOM 1100 N CYS A 71 -19.623 3.392 -5.763 1.00 12.00 N ATOM 1101 CA CYS A 71 -21.064 3.534 -5.396 1.00 12.00 C ATOM 1102 C CYS A 71 -21.156 4.961 -4.867 1.00 12.00 C ATOM 1103 O CYS A 71 -20.604 5.257 -3.824 1.00 12.00 O ATOM 1104 CB CYS A 71 -21.458 2.526 -4.304 1.00 12.00 C ATOM 1105 SG CYS A 71 -21.363 0.842 -4.970 1.00 12.00 S ATOM 0 H CYS A 71 -18.985 3.380 -4.967 1.00 12.00 H new ATOM 0 HA CYS A 71 -21.734 3.343 -6.235 1.00 12.00 H new ATOM 0 HB2 CYS A 71 -20.794 2.627 -3.445 1.00 12.00 H new ATOM 0 HB3 CYS A 71 -22.469 2.732 -3.952 1.00 12.00 H new ATOM 1110 N THR A 72 -21.771 5.859 -5.608 1.00 12.00 N ATOM 1111 CA THR A 72 -21.803 7.301 -5.178 1.00 12.00 C ATOM 1112 C THR A 72 -23.201 7.744 -4.730 1.00 12.00 C ATOM 1113 O THR A 72 -24.203 7.315 -5.273 1.00 12.00 O ATOM 1114 CB THR A 72 -21.351 8.172 -6.363 1.00 12.00 C ATOM 1115 OG1 THR A 72 -20.214 7.578 -6.974 1.00 12.00 O ATOM 1116 CG2 THR A 72 -20.985 9.578 -5.879 1.00 12.00 C ATOM 0 H THR A 72 -22.249 5.658 -6.486 1.00 12.00 H new ATOM 0 HA THR A 72 -21.136 7.416 -4.324 1.00 12.00 H new ATOM 0 HB THR A 72 -22.167 8.244 -7.082 1.00 12.00 H new ATOM 0 HG1 THR A 72 -19.924 8.129 -7.731 1.00 12.00 H new ATOM 0 HG21 THR A 72 -20.667 10.184 -6.728 1.00 12.00 H new ATOM 0 HG22 THR A 72 -21.854 10.039 -5.410 1.00 12.00 H new ATOM 0 HG23 THR A 72 -20.173 9.514 -5.155 1.00 12.00 H new ATOM 1124 N ARG A 73 -23.253 8.631 -3.749 1.00 12.00 N ATOM 1125 CA ARG A 73 -24.558 9.159 -3.244 1.00 12.00 C ATOM 1126 C ARG A 73 -25.244 9.945 -4.366 1.00 12.00 C ATOM 1127 O ARG A 73 -24.727 10.955 -4.818 1.00 12.00 O ATOM 1128 CB ARG A 73 -24.298 10.088 -2.053 1.00 12.00 C ATOM 1129 CG ARG A 73 -25.526 10.113 -1.140 1.00 12.00 C ATOM 1130 CD ARG A 73 -25.239 10.982 0.089 1.00 12.00 C ATOM 1131 NE ARG A 73 -25.879 12.317 -0.087 1.00 12.00 N ATOM 1132 CZ ARG A 73 -26.818 12.704 0.733 1.00 12.00 C ATOM 1133 NH1 ARG A 73 -27.782 11.884 1.053 1.00 12.00 N ATOM 1134 NH2 ARG A 73 -26.797 13.912 1.229 1.00 12.00 N ATOM 0 H ARG A 73 -22.432 9.010 -3.277 1.00 12.00 H new ATOM 0 HA ARG A 73 -25.198 8.335 -2.929 1.00 12.00 H new ATOM 0 HB2 ARG A 73 -23.426 9.746 -1.496 1.00 12.00 H new ATOM 0 HB3 ARG A 73 -24.075 11.095 -2.407 1.00 12.00 H new ATOM 0 HG2 ARG A 73 -26.386 10.506 -1.682 1.00 12.00 H new ATOM 0 HG3 ARG A 73 -25.781 9.100 -0.829 1.00 12.00 H new ATOM 0 HD2 ARG A 73 -25.623 10.498 0.987 1.00 12.00 H new ATOM 0 HD3 ARG A 73 -24.163 11.097 0.223 1.00 12.00 H new ATOM 0 HE ARG A 73 -25.583 12.928 -0.848 1.00 12.00 H new ATOM 0 HH11 ARG A 73 -27.801 10.942 0.662 1.00 12.00 H new ATOM 0 HH12 ARG A 73 -28.516 12.185 1.694 1.00 12.00 H new ATOM 0 HH21 ARG A 73 -26.046 14.554 0.976 1.00 12.00 H new ATOM 0 HH22 ARG A 73 -27.531 14.213 1.870 1.00 12.00 H new ATOM 1148 N THR A 74 -26.392 9.483 -4.825 1.00 12.00 N ATOM 1149 CA THR A 74 -27.114 10.193 -5.936 1.00 12.00 C ATOM 1150 C THR A 74 -28.422 10.819 -5.423 1.00 12.00 C ATOM 1151 O THR A 74 -28.450 11.993 -5.088 1.00 12.00 O ATOM 1152 CB THR A 74 -27.413 9.209 -7.078 1.00 12.00 C ATOM 1153 OG1 THR A 74 -27.747 7.936 -6.539 1.00 12.00 O ATOM 1154 CG2 THR A 74 -26.182 9.077 -7.978 1.00 12.00 C ATOM 0 H THR A 74 -26.858 8.645 -4.477 1.00 12.00 H new ATOM 0 HA THR A 74 -26.474 10.993 -6.309 1.00 12.00 H new ATOM 0 HB THR A 74 -28.252 9.584 -7.665 1.00 12.00 H new ATOM 0 HG1 THR A 74 -27.939 7.312 -7.270 1.00 12.00 H new ATOM 0 HG21 THR A 74 -26.396 8.379 -8.787 1.00 12.00 H new ATOM 0 HG22 THR A 74 -25.931 10.052 -8.397 1.00 12.00 H new ATOM 0 HG23 THR A 74 -25.341 8.706 -7.392 1.00 12.00 H new ATOM 1258 N CYS A 81 -29.094 3.411 1.854 1.00 12.00 N ATOM 1259 CA CYS A 81 -28.764 4.826 1.501 1.00 12.00 C ATOM 1260 C CYS A 81 -28.890 4.985 -0.033 1.00 12.00 C ATOM 1261 O CYS A 81 -28.881 3.986 -0.737 1.00 12.00 O ATOM 1262 CB CYS A 81 -27.330 5.156 1.949 1.00 12.00 C ATOM 1263 SG CYS A 81 -27.375 6.427 3.242 1.00 12.00 S ATOM 0 HA CYS A 81 -29.448 5.509 2.005 1.00 12.00 H new ATOM 0 HB2 CYS A 81 -26.840 4.258 2.324 1.00 12.00 H new ATOM 0 HB3 CYS A 81 -26.744 5.507 1.099 1.00 12.00 H new ATOM 1268 N PRO A 82 -29.000 6.218 -0.527 1.00 12.00 N ATOM 1269 CA PRO A 82 -29.126 6.465 -1.984 1.00 12.00 C ATOM 1270 C PRO A 82 -27.762 6.292 -2.655 1.00 12.00 C ATOM 1271 O PRO A 82 -26.922 7.167 -2.575 1.00 12.00 O ATOM 1272 CB PRO A 82 -29.592 7.920 -2.071 1.00 12.00 C ATOM 1273 CG PRO A 82 -29.162 8.593 -0.747 1.00 12.00 C ATOM 1274 CD PRO A 82 -29.000 7.465 0.288 1.00 12.00 C ATOM 0 HA PRO A 82 -29.812 5.780 -2.481 1.00 12.00 H new ATOM 0 HB2 PRO A 82 -29.141 8.422 -2.927 1.00 12.00 H new ATOM 0 HB3 PRO A 82 -30.673 7.975 -2.202 1.00 12.00 H new ATOM 0 HG2 PRO A 82 -28.227 9.138 -0.875 1.00 12.00 H new ATOM 0 HG3 PRO A 82 -29.910 9.315 -0.419 1.00 12.00 H new ATOM 0 HD2 PRO A 82 -28.073 7.572 0.852 1.00 12.00 H new ATOM 0 HD3 PRO A 82 -29.815 7.468 1.011 1.00 12.00 H new ATOM 1282 N TYR A 83 -27.534 5.164 -3.304 1.00 12.00 N ATOM 1283 CA TYR A 83 -26.205 4.922 -3.976 1.00 12.00 C ATOM 1284 C TYR A 83 -26.387 4.239 -5.330 1.00 12.00 C ATOM 1285 O TYR A 83 -27.168 3.314 -5.474 1.00 12.00 O ATOM 1286 CB TYR A 83 -25.323 4.026 -3.095 1.00 12.00 C ATOM 1287 CG TYR A 83 -24.607 4.869 -2.072 1.00 12.00 C ATOM 1288 CD1 TYR A 83 -25.309 5.435 -1.002 1.00 12.00 C ATOM 1289 CD2 TYR A 83 -23.236 5.095 -2.205 1.00 12.00 C ATOM 1290 CE1 TYR A 83 -24.633 6.224 -0.063 1.00 12.00 C ATOM 1291 CE2 TYR A 83 -22.562 5.881 -1.273 1.00 12.00 C ATOM 1292 CZ TYR A 83 -23.259 6.449 -0.197 1.00 12.00 C ATOM 1293 OH TYR A 83 -22.596 7.229 0.732 1.00 12.00 O ATOM 0 H TYR A 83 -28.208 4.404 -3.397 1.00 12.00 H new ATOM 0 HA TYR A 83 -25.731 5.892 -4.124 1.00 12.00 H new ATOM 0 HB2 TYR A 83 -25.935 3.274 -2.597 1.00 12.00 H new ATOM 0 HB3 TYR A 83 -24.600 3.492 -3.711 1.00 12.00 H new ATOM 0 HD1 TYR A 83 -26.370 5.264 -0.900 1.00 12.00 H new ATOM 0 HD2 TYR A 83 -22.696 4.659 -3.033 1.00 12.00 H new ATOM 0 HE1 TYR A 83 -25.173 6.659 0.765 1.00 12.00 H new ATOM 0 HE2 TYR A 83 -21.501 6.053 -1.379 1.00 12.00 H new ATOM 0 HH TYR A 83 -22.698 8.175 0.497 1.00 12.00 H new ATOM 1303 N SER A 84 -25.628 4.686 -6.308 1.00 12.00 N ATOM 1304 CA SER A 84 -25.677 4.075 -7.680 1.00 12.00 C ATOM 1305 C SER A 84 -24.316 3.426 -7.950 1.00 12.00 C ATOM 1306 O SER A 84 -23.293 4.088 -7.887 1.00 12.00 O ATOM 1307 CB SER A 84 -25.944 5.160 -8.726 1.00 12.00 C ATOM 1308 OG SER A 84 -25.187 6.321 -8.409 1.00 12.00 O ATOM 0 H SER A 84 -24.968 5.458 -6.212 1.00 12.00 H new ATOM 0 HA SER A 84 -26.475 3.335 -7.737 1.00 12.00 H new ATOM 0 HB2 SER A 84 -25.675 4.797 -9.718 1.00 12.00 H new ATOM 0 HB3 SER A 84 -27.007 5.402 -8.752 1.00 12.00 H new ATOM 0 HG SER A 84 -24.252 6.070 -8.257 1.00 12.00 H new ATOM 1314 N SER A 85 -24.301 2.136 -8.221 1.00 12.00 N ATOM 1315 CA SER A 85 -23.009 1.413 -8.469 1.00 12.00 C ATOM 1316 C SER A 85 -22.582 1.569 -9.933 1.00 12.00 C ATOM 1317 O SER A 85 -23.408 1.582 -10.830 1.00 12.00 O ATOM 1318 CB SER A 85 -23.192 -0.074 -8.155 1.00 12.00 C ATOM 1319 OG SER A 85 -24.410 -0.528 -8.732 1.00 12.00 O ATOM 0 H SER A 85 -25.135 1.552 -8.281 1.00 12.00 H new ATOM 0 HA SER A 85 -22.238 1.839 -7.827 1.00 12.00 H new ATOM 0 HB2 SER A 85 -22.353 -0.647 -8.550 1.00 12.00 H new ATOM 0 HB3 SER A 85 -23.206 -0.231 -7.076 1.00 12.00 H new ATOM 0 HG SER A 85 -24.530 -1.480 -8.535 1.00 12.00 H new ATOM 1325 N ARG A 86 -21.287 1.677 -10.165 1.00 12.00 N ATOM 1326 CA ARG A 86 -20.756 1.822 -11.556 1.00 12.00 C ATOM 1327 C ARG A 86 -19.314 1.303 -11.604 1.00 12.00 C ATOM 1328 O ARG A 86 -18.653 1.208 -10.583 1.00 12.00 O ATOM 1329 CB ARG A 86 -20.780 3.296 -11.970 1.00 12.00 C ATOM 1330 CG ARG A 86 -20.460 3.408 -13.463 1.00 12.00 C ATOM 1331 CD ARG A 86 -20.775 4.821 -13.961 1.00 12.00 C ATOM 1332 NE ARG A 86 -22.054 4.803 -14.725 1.00 12.00 N ATOM 1333 CZ ARG A 86 -22.759 5.893 -14.836 1.00 12.00 C ATOM 1334 NH1 ARG A 86 -23.352 6.393 -13.787 1.00 12.00 N ATOM 1335 NH2 ARG A 86 -22.870 6.484 -15.995 1.00 12.00 N ATOM 0 H ARG A 86 -20.573 1.670 -9.437 1.00 12.00 H new ATOM 0 HA ARG A 86 -21.378 1.247 -12.242 1.00 12.00 H new ATOM 0 HB2 ARG A 86 -21.759 3.728 -11.763 1.00 12.00 H new ATOM 0 HB3 ARG A 86 -20.053 3.861 -11.387 1.00 12.00 H new ATOM 0 HG2 ARG A 86 -19.409 3.178 -13.636 1.00 12.00 H new ATOM 0 HG3 ARG A 86 -21.043 2.677 -14.024 1.00 12.00 H new ATOM 0 HD2 ARG A 86 -20.852 5.507 -13.117 1.00 12.00 H new ATOM 0 HD3 ARG A 86 -19.965 5.184 -14.594 1.00 12.00 H new ATOM 0 HE ARG A 86 -22.377 3.939 -15.160 1.00 12.00 H new ATOM 0 HH11 ARG A 86 -23.263 5.931 -12.882 1.00 12.00 H new ATOM 0 HH12 ARG A 86 -23.904 7.246 -13.872 1.00 12.00 H new ATOM 0 HH21 ARG A 86 -22.405 6.092 -16.814 1.00 12.00 H new ATOM 0 HH22 ARG A 86 -23.422 7.337 -16.082 1.00 12.00 H new ATOM 1349 N THR A 87 -18.836 0.967 -12.784 1.00 12.00 N ATOM 1350 CA THR A 87 -17.436 0.445 -12.936 1.00 12.00 C ATOM 1351 C THR A 87 -16.735 1.215 -14.054 1.00 12.00 C ATOM 1352 O THR A 87 -17.350 1.540 -15.058 1.00 12.00 O ATOM 1353 CB THR A 87 -17.493 -1.039 -13.307 1.00 12.00 C ATOM 1354 OG1 THR A 87 -18.312 -1.727 -12.372 1.00 12.00 O ATOM 1355 CG2 THR A 87 -16.082 -1.629 -13.285 1.00 12.00 C ATOM 0 H THR A 87 -19.362 1.033 -13.655 1.00 12.00 H new ATOM 0 HA THR A 87 -16.889 0.571 -12.001 1.00 12.00 H new ATOM 0 HB THR A 87 -17.912 -1.148 -14.307 1.00 12.00 H new ATOM 0 HG1 THR A 87 -18.351 -2.677 -12.609 1.00 12.00 H new ATOM 0 HG21 THR A 87 -16.125 -2.686 -13.549 1.00 12.00 H new ATOM 0 HG22 THR A 87 -15.455 -1.100 -14.003 1.00 12.00 H new ATOM 0 HG23 THR A 87 -15.658 -1.522 -12.286 1.00 12.00 H new ATOM 1363 N GLU A 88 -15.457 1.507 -13.891 1.00 12.00 N ATOM 1364 CA GLU A 88 -14.712 2.264 -14.952 1.00 12.00 C ATOM 1365 C GLU A 88 -13.203 2.243 -14.669 1.00 12.00 C ATOM 1366 O GLU A 88 -12.730 1.522 -13.807 1.00 12.00 O ATOM 1367 CB GLU A 88 -15.215 3.718 -14.977 1.00 12.00 C ATOM 1368 CG GLU A 88 -15.620 4.119 -16.407 1.00 12.00 C ATOM 1369 CD GLU A 88 -17.102 4.503 -16.438 1.00 12.00 C ATOM 1370 OE1 GLU A 88 -17.502 5.309 -15.615 1.00 12.00 O ATOM 1371 OE2 GLU A 88 -17.810 3.984 -17.285 1.00 12.00 O ATOM 0 H GLU A 88 -14.904 1.254 -13.072 1.00 12.00 H new ATOM 0 HA GLU A 88 -14.888 1.792 -15.919 1.00 12.00 H new ATOM 0 HB2 GLU A 88 -16.067 3.827 -14.306 1.00 12.00 H new ATOM 0 HB3 GLU A 88 -14.435 4.386 -14.612 1.00 12.00 H new ATOM 0 HG2 GLU A 88 -15.011 4.957 -16.746 1.00 12.00 H new ATOM 0 HG3 GLU A 88 -15.435 3.292 -17.093 1.00 12.00 H new ATOM 1378 N THR A 89 -12.463 3.048 -15.403 1.00 12.00 N ATOM 1379 CA THR A 89 -10.978 3.134 -15.229 1.00 12.00 C ATOM 1380 C THR A 89 -10.670 3.685 -13.842 1.00 12.00 C ATOM 1381 O THR A 89 -11.412 4.506 -13.327 1.00 12.00 O ATOM 1382 CB THR A 89 -10.411 4.086 -16.302 1.00 12.00 C ATOM 1383 OG1 THR A 89 -10.702 3.562 -17.589 1.00 12.00 O ATOM 1384 CG2 THR A 89 -8.893 4.228 -16.148 1.00 12.00 C ATOM 0 H THR A 89 -12.837 3.660 -16.129 1.00 12.00 H new ATOM 0 HA THR A 89 -10.526 2.148 -15.334 1.00 12.00 H new ATOM 0 HB THR A 89 -10.870 5.067 -16.181 1.00 12.00 H new ATOM 0 HG1 THR A 89 -10.346 4.164 -18.275 1.00 12.00 H new ATOM 0 HG21 THR A 89 -8.511 4.903 -16.914 1.00 12.00 H new ATOM 0 HG22 THR A 89 -8.663 4.631 -15.162 1.00 12.00 H new ATOM 0 HG23 THR A 89 -8.423 3.251 -16.259 1.00 12.00 H new ATOM 1392 N ASN A 90 -9.583 3.241 -13.236 1.00 12.00 N ATOM 1393 CA ASN A 90 -9.235 3.755 -11.869 1.00 12.00 C ATOM 1394 C ASN A 90 -8.014 4.680 -11.914 1.00 12.00 C ATOM 1395 O ASN A 90 -6.882 4.268 -11.710 1.00 12.00 O ATOM 1396 CB ASN A 90 -8.991 2.604 -10.886 1.00 12.00 C ATOM 1397 CG ASN A 90 -9.100 3.119 -9.443 1.00 12.00 C ATOM 1398 OD1 ASN A 90 -9.847 4.037 -9.157 1.00 12.00 O ATOM 1399 ND2 ASN A 90 -8.379 2.557 -8.511 1.00 12.00 N ATOM 0 H ASN A 90 -8.934 2.556 -13.624 1.00 12.00 H new ATOM 0 HA ASN A 90 -10.089 4.333 -11.516 1.00 12.00 H new ATOM 0 HB2 ASN A 90 -9.718 1.810 -11.054 1.00 12.00 H new ATOM 0 HB3 ASN A 90 -8.004 2.173 -11.054 1.00 12.00 H new ATOM 0 HD21 ASN A 90 -8.443 2.887 -7.548 1.00 12.00 H new ATOM 0 HD22 ASN A 90 -7.752 1.788 -8.746 1.00 12.00 H new ATOM 1406 N TYR A 91 -8.276 5.944 -12.124 1.00 12.00 N ATOM 1407 CA TYR A 91 -7.202 6.985 -12.128 1.00 12.00 C ATOM 1408 C TYR A 91 -7.257 7.608 -10.738 1.00 12.00 C ATOM 1409 O TYR A 91 -8.187 8.340 -10.433 1.00 12.00 O ATOM 1410 CB TYR A 91 -7.512 8.045 -13.190 1.00 12.00 C ATOM 1411 CG TYR A 91 -6.228 8.639 -13.721 1.00 12.00 C ATOM 1412 CD1 TYR A 91 -5.461 9.487 -12.913 1.00 12.00 C ATOM 1413 CD2 TYR A 91 -5.812 8.349 -15.026 1.00 12.00 C ATOM 1414 CE1 TYR A 91 -4.275 10.045 -13.412 1.00 12.00 C ATOM 1415 CE2 TYR A 91 -4.627 8.904 -15.523 1.00 12.00 C ATOM 1416 CZ TYR A 91 -3.859 9.755 -14.717 1.00 12.00 C ATOM 1417 OH TYR A 91 -2.691 10.307 -15.207 1.00 12.00 O ATOM 0 H TYR A 91 -9.213 6.308 -12.297 1.00 12.00 H new ATOM 0 HA TYR A 91 -6.220 6.570 -12.355 1.00 12.00 H new ATOM 0 HB2 TYR A 91 -8.080 7.598 -14.006 1.00 12.00 H new ATOM 0 HB3 TYR A 91 -8.135 8.830 -12.761 1.00 12.00 H new ATOM 0 HD1 TYR A 91 -5.782 9.711 -11.907 1.00 12.00 H new ATOM 0 HD2 TYR A 91 -6.406 7.697 -15.649 1.00 12.00 H new ATOM 0 HE1 TYR A 91 -3.682 10.699 -12.789 1.00 12.00 H new ATOM 0 HE2 TYR A 91 -4.304 8.676 -16.528 1.00 12.00 H new ATOM 0 HH TYR A 91 -2.410 11.045 -14.627 1.00 12.00 H new ATOM 1427 N ILE A 92 -6.326 7.268 -9.870 1.00 12.00 N ATOM 1428 CA ILE A 92 -6.399 7.783 -8.461 1.00 12.00 C ATOM 1429 C ILE A 92 -5.092 8.449 -8.026 1.00 12.00 C ATOM 1430 O ILE A 92 -4.055 8.264 -8.629 1.00 12.00 O ATOM 1431 CB ILE A 92 -6.704 6.592 -7.533 1.00 12.00 C ATOM 1432 CG1 ILE A 92 -7.905 5.793 -8.074 1.00 12.00 C ATOM 1433 CG2 ILE A 92 -7.028 7.088 -6.125 1.00 12.00 C ATOM 1434 CD1 ILE A 92 -9.149 6.690 -8.176 1.00 12.00 C ATOM 0 H ILE A 92 -5.529 6.664 -10.074 1.00 12.00 H new ATOM 0 HA ILE A 92 -7.182 8.539 -8.404 1.00 12.00 H new ATOM 0 HB ILE A 92 -5.824 5.950 -7.498 1.00 12.00 H new ATOM 0 HG12 ILE A 92 -7.664 5.383 -9.055 1.00 12.00 H new ATOM 0 HG13 ILE A 92 -8.112 4.948 -7.417 1.00 12.00 H new ATOM 0 HG21 ILE A 92 -7.242 6.236 -5.479 1.00 12.00 H new ATOM 0 HG22 ILE A 92 -6.175 7.639 -5.728 1.00 12.00 H new ATOM 0 HG23 ILE A 92 -7.898 7.743 -6.161 1.00 12.00 H new ATOM 0 HD11 ILE A 92 -9.987 6.108 -8.560 1.00 12.00 H new ATOM 0 HD12 ILE A 92 -9.399 7.079 -7.189 1.00 12.00 H new ATOM 0 HD13 ILE A 92 -8.944 7.520 -8.852 1.00 12.00 H new ATOM 1446 N CYS A 93 -5.165 9.217 -6.960 1.00 12.00 N ATOM 1447 CA CYS A 93 -3.959 9.914 -6.403 1.00 12.00 C ATOM 1448 C CYS A 93 -3.684 9.356 -5.001 1.00 12.00 C ATOM 1449 O CYS A 93 -4.413 9.642 -4.065 1.00 12.00 O ATOM 1450 CB CYS A 93 -4.226 11.419 -6.321 1.00 12.00 C ATOM 1451 SG CYS A 93 -2.772 12.260 -5.644 1.00 12.00 S ATOM 0 H CYS A 93 -6.027 9.392 -6.444 1.00 12.00 H new ATOM 0 HA CYS A 93 -3.096 9.747 -7.047 1.00 12.00 H new ATOM 0 HB2 CYS A 93 -4.457 11.812 -7.311 1.00 12.00 H new ATOM 0 HB3 CYS A 93 -5.095 11.610 -5.691 1.00 12.00 H new ATOM 0 HG CYS A 93 -3.001 13.538 -5.578 1.00 12.00 H new ATOM 1456 N VAL A 94 -2.650 8.546 -4.865 1.00 12.00 N ATOM 1457 CA VAL A 94 -2.320 7.929 -3.540 1.00 12.00 C ATOM 1458 C VAL A 94 -0.976 8.473 -3.028 1.00 12.00 C ATOM 1459 O VAL A 94 -0.277 9.173 -3.743 1.00 12.00 O ATOM 1460 CB VAL A 94 -2.272 6.388 -3.706 1.00 12.00 C ATOM 1461 CG1 VAL A 94 -0.984 5.938 -4.415 1.00 12.00 C ATOM 1462 CG2 VAL A 94 -2.360 5.729 -2.332 1.00 12.00 C ATOM 0 H VAL A 94 -2.020 8.288 -5.624 1.00 12.00 H new ATOM 0 HA VAL A 94 -3.084 8.184 -2.805 1.00 12.00 H new ATOM 0 HB VAL A 94 -3.118 6.084 -4.323 1.00 12.00 H new ATOM 0 HG11 VAL A 94 -0.984 4.853 -4.515 1.00 12.00 H new ATOM 0 HG12 VAL A 94 -0.935 6.393 -5.404 1.00 12.00 H new ATOM 0 HG13 VAL A 94 -0.119 6.249 -3.830 1.00 12.00 H new ATOM 0 HG21 VAL A 94 -2.327 4.645 -2.445 1.00 12.00 H new ATOM 0 HG22 VAL A 94 -1.521 6.056 -1.717 1.00 12.00 H new ATOM 0 HG23 VAL A 94 -3.295 6.015 -1.851 1.00 12.00 H new ATOM 1472 N LYS A 95 -0.614 8.136 -1.803 1.00 12.00 N ATOM 1473 CA LYS A 95 0.683 8.597 -1.234 1.00 12.00 C ATOM 1474 C LYS A 95 1.461 7.368 -0.722 1.00 12.00 C ATOM 1475 O LYS A 95 0.861 6.417 -0.239 1.00 12.00 O ATOM 1476 CB LYS A 95 0.428 9.603 -0.109 1.00 12.00 C ATOM 1477 CG LYS A 95 0.334 11.007 -0.713 1.00 12.00 C ATOM 1478 CD LYS A 95 0.314 12.055 0.402 1.00 12.00 C ATOM 1479 CE LYS A 95 0.302 13.452 -0.222 1.00 12.00 C ATOM 1480 NZ LYS A 95 0.656 14.467 0.809 1.00 12.00 N ATOM 0 H LYS A 95 -1.173 7.557 -1.177 1.00 12.00 H new ATOM 0 HA LYS A 95 1.277 9.098 -1.998 1.00 12.00 H new ATOM 0 HB2 LYS A 95 -0.495 9.356 0.416 1.00 12.00 H new ATOM 0 HB3 LYS A 95 1.233 9.561 0.624 1.00 12.00 H new ATOM 0 HG2 LYS A 95 1.181 11.185 -1.375 1.00 12.00 H new ATOM 0 HG3 LYS A 95 -0.568 11.092 -1.319 1.00 12.00 H new ATOM 0 HD2 LYS A 95 -0.565 11.917 1.032 1.00 12.00 H new ATOM 0 HD3 LYS A 95 1.187 11.938 1.044 1.00 12.00 H new ATOM 0 HE2 LYS A 95 1.011 13.497 -1.049 1.00 12.00 H new ATOM 0 HE3 LYS A 95 -0.683 13.668 -0.635 1.00 12.00 H new ATOM 0 HZ1 LYS A 95 0.647 15.415 0.381 1.00 12.00 H new ATOM 0 HZ2 LYS A 95 -0.036 14.431 1.584 1.00 12.00 H new ATOM 0 HZ3 LYS A 95 1.605 14.265 1.183 1.00 12.00 H new ATOM 1494 N CYS A 96 2.780 7.354 -0.870 1.00 12.00 N ATOM 1495 CA CYS A 96 3.579 6.145 -0.452 1.00 12.00 C ATOM 1496 C CYS A 96 4.476 6.374 0.775 1.00 12.00 C ATOM 1497 O CYS A 96 5.468 7.078 0.719 1.00 12.00 O ATOM 1498 CB CYS A 96 4.482 5.695 -1.610 1.00 12.00 C ATOM 1499 SG CYS A 96 3.643 5.920 -3.200 1.00 12.00 S ATOM 0 H CYS A 96 3.328 8.121 -1.258 1.00 12.00 H new ATOM 0 HA CYS A 96 2.841 5.389 -0.184 1.00 12.00 H new ATOM 0 HB2 CYS A 96 5.410 6.267 -1.598 1.00 12.00 H new ATOM 0 HB3 CYS A 96 4.753 4.647 -1.481 1.00 12.00 H new ATOM 1504 N GLU A 97 4.173 5.667 1.840 1.00 12.00 N ATOM 1505 CA GLU A 97 5.018 5.668 3.081 1.00 12.00 C ATOM 1506 C GLU A 97 5.314 4.185 3.331 1.00 12.00 C ATOM 1507 O GLU A 97 4.471 3.351 3.050 1.00 12.00 O ATOM 1508 CB GLU A 97 4.275 6.292 4.268 1.00 12.00 C ATOM 1509 CG GLU A 97 5.098 6.117 5.551 1.00 12.00 C ATOM 1510 CD GLU A 97 4.630 7.124 6.602 1.00 12.00 C ATOM 1511 OE1 GLU A 97 4.798 8.311 6.372 1.00 12.00 O ATOM 1512 OE2 GLU A 97 4.116 6.693 7.620 1.00 12.00 O ATOM 0 H GLU A 97 3.348 5.070 1.902 1.00 12.00 H new ATOM 0 HA GLU A 97 5.924 6.263 2.964 1.00 12.00 H new ATOM 0 HB2 GLU A 97 4.098 7.351 4.081 1.00 12.00 H new ATOM 0 HB3 GLU A 97 3.299 5.821 4.385 1.00 12.00 H new ATOM 0 HG2 GLU A 97 4.987 5.101 5.931 1.00 12.00 H new ATOM 0 HG3 GLU A 97 6.157 6.263 5.339 1.00 12.00 H new ATOM 1519 N ASN A 98 6.499 3.825 3.788 1.00 12.00 N ATOM 1520 CA ASN A 98 6.823 2.350 3.944 1.00 12.00 C ATOM 1521 C ASN A 98 6.575 1.666 2.568 1.00 12.00 C ATOM 1522 O ASN A 98 6.212 0.511 2.483 1.00 12.00 O ATOM 1523 CB ASN A 98 5.914 1.731 5.011 1.00 12.00 C ATOM 1524 CG ASN A 98 6.394 2.165 6.398 1.00 12.00 C ATOM 1525 OD1 ASN A 98 7.453 1.764 6.841 1.00 12.00 O ATOM 1526 ND2 ASN A 98 5.657 2.976 7.106 1.00 12.00 N ATOM 0 H ASN A 98 7.244 4.468 4.056 1.00 12.00 H new ATOM 0 HA ASN A 98 7.859 2.213 4.255 1.00 12.00 H new ATOM 0 HB2 ASN A 98 4.883 2.048 4.855 1.00 12.00 H new ATOM 0 HB3 ASN A 98 5.929 0.644 4.932 1.00 12.00 H new ATOM 0 HD21 ASN A 98 5.969 3.273 8.030 1.00 12.00 H new ATOM 0 HD22 ASN A 98 4.769 3.313 6.735 1.00 12.00 H new ATOM 1533 N GLN A 99 6.758 2.438 1.503 1.00 12.00 N ATOM 1534 CA GLN A 99 6.560 1.999 0.072 1.00 12.00 C ATOM 1535 C GLN A 99 5.193 1.344 -0.217 1.00 12.00 C ATOM 1536 O GLN A 99 4.974 0.854 -1.314 1.00 12.00 O ATOM 1537 CB GLN A 99 7.713 1.096 -0.402 1.00 12.00 C ATOM 1538 CG GLN A 99 7.814 -0.156 0.469 1.00 12.00 C ATOM 1539 CD GLN A 99 8.789 -1.148 -0.169 1.00 12.00 C ATOM 1540 OE1 GLN A 99 9.959 -1.170 0.165 1.00 12.00 O ATOM 1541 NE2 GLN A 99 8.354 -1.975 -1.079 1.00 12.00 N ATOM 0 H GLN A 99 7.054 3.411 1.581 1.00 12.00 H new ATOM 0 HA GLN A 99 6.567 2.922 -0.508 1.00 12.00 H new ATOM 0 HB2 GLN A 99 7.553 0.810 -1.441 1.00 12.00 H new ATOM 0 HB3 GLN A 99 8.652 1.648 -0.364 1.00 12.00 H new ATOM 0 HG2 GLN A 99 8.154 0.111 1.470 1.00 12.00 H new ATOM 0 HG3 GLN A 99 6.832 -0.615 0.578 1.00 12.00 H new ATOM 0 HE21 GLN A 99 7.373 -1.956 -1.358 1.00 12.00 H new ATOM 0 HE22 GLN A 99 8.995 -2.641 -1.511 1.00 12.00 H new ATOM 1550 N TYR A 100 4.259 1.420 0.699 1.00 12.00 N ATOM 1551 CA TYR A 100 2.873 0.906 0.448 1.00 12.00 C ATOM 1552 C TYR A 100 1.967 2.147 0.571 1.00 12.00 C ATOM 1553 O TYR A 100 2.272 3.024 1.363 1.00 12.00 O ATOM 1554 CB TYR A 100 2.511 -0.241 1.462 1.00 12.00 C ATOM 1555 CG TYR A 100 1.454 0.156 2.500 1.00 12.00 C ATOM 1556 CD1 TYR A 100 0.127 0.411 2.110 1.00 12.00 C ATOM 1557 CD2 TYR A 100 1.810 0.289 3.849 1.00 12.00 C ATOM 1558 CE1 TYR A 100 -0.826 0.793 3.053 1.00 12.00 C ATOM 1559 CE2 TYR A 100 0.851 0.680 4.792 1.00 12.00 C ATOM 1560 CZ TYR A 100 -0.465 0.935 4.391 1.00 12.00 C ATOM 1561 OH TYR A 100 -1.404 1.336 5.313 1.00 12.00 O ATOM 0 H TYR A 100 4.399 1.823 1.626 1.00 12.00 H new ATOM 0 HA TYR A 100 2.756 0.445 -0.533 1.00 12.00 H new ATOM 0 HB2 TYR A 100 2.151 -1.105 0.904 1.00 12.00 H new ATOM 0 HB3 TYR A 100 3.417 -0.552 1.982 1.00 12.00 H new ATOM 0 HD1 TYR A 100 -0.156 0.310 1.073 1.00 12.00 H new ATOM 0 HD2 TYR A 100 2.824 0.090 4.162 1.00 12.00 H new ATOM 0 HE1 TYR A 100 -1.845 0.979 2.746 1.00 12.00 H new ATOM 0 HE2 TYR A 100 1.128 0.785 5.831 1.00 12.00 H new ATOM 0 HH TYR A 100 -2.128 0.677 5.350 1.00 12.00 H new ATOM 1571 N PRO A 101 0.885 2.210 -0.191 1.00 12.00 N ATOM 1572 CA PRO A 101 -0.033 3.369 -0.127 1.00 12.00 C ATOM 1573 C PRO A 101 -0.593 3.476 1.289 1.00 12.00 C ATOM 1574 O PRO A 101 -1.594 2.886 1.609 1.00 12.00 O ATOM 1575 CB PRO A 101 -1.090 3.057 -1.191 1.00 12.00 C ATOM 1576 CG PRO A 101 -1.010 1.536 -1.439 1.00 12.00 C ATOM 1577 CD PRO A 101 0.446 1.148 -1.134 1.00 12.00 C ATOM 0 HA PRO A 101 0.428 4.336 -0.327 1.00 12.00 H new ATOM 0 HB2 PRO A 101 -2.084 3.345 -0.849 1.00 12.00 H new ATOM 0 HB3 PRO A 101 -0.896 3.612 -2.108 1.00 12.00 H new ATOM 0 HG2 PRO A 101 -1.704 0.996 -0.795 1.00 12.00 H new ATOM 0 HG3 PRO A 101 -1.274 1.291 -2.468 1.00 12.00 H new ATOM 0 HD2 PRO A 101 0.514 0.157 -0.686 1.00 12.00 H new ATOM 0 HD3 PRO A 101 1.057 1.132 -2.037 1.00 12.00 H new ATOM 1585 N VAL A 102 0.096 4.213 2.136 1.00 12.00 N ATOM 1586 CA VAL A 102 -0.316 4.360 3.574 1.00 12.00 C ATOM 1587 C VAL A 102 -1.330 5.490 3.737 1.00 12.00 C ATOM 1588 O VAL A 102 -2.006 5.566 4.753 1.00 12.00 O ATOM 1589 CB VAL A 102 0.938 4.692 4.413 1.00 12.00 C ATOM 1590 CG1 VAL A 102 0.559 5.144 5.837 1.00 12.00 C ATOM 1591 CG2 VAL A 102 1.838 3.461 4.511 1.00 12.00 C ATOM 0 H VAL A 102 0.941 4.727 1.886 1.00 12.00 H new ATOM 0 HA VAL A 102 -0.774 3.429 3.907 1.00 12.00 H new ATOM 0 HB VAL A 102 1.463 5.507 3.915 1.00 12.00 H new ATOM 0 HG11 VAL A 102 1.465 5.370 6.400 1.00 12.00 H new ATOM 0 HG12 VAL A 102 -0.066 6.036 5.782 1.00 12.00 H new ATOM 0 HG13 VAL A 102 0.010 4.347 6.338 1.00 12.00 H new ATOM 0 HG21 VAL A 102 2.720 3.702 5.104 1.00 12.00 H new ATOM 0 HG22 VAL A 102 1.291 2.648 4.988 1.00 12.00 H new ATOM 0 HG23 VAL A 102 2.145 3.154 3.511 1.00 12.00 H new ATOM 1601 N HIS A 103 -1.401 6.386 2.789 1.00 12.00 N ATOM 1602 CA HIS A 103 -2.328 7.545 2.927 1.00 12.00 C ATOM 1603 C HIS A 103 -2.958 7.825 1.578 1.00 12.00 C ATOM 1604 O HIS A 103 -2.300 7.687 0.567 1.00 12.00 O ATOM 1605 CB HIS A 103 -1.545 8.803 3.411 1.00 12.00 C ATOM 1606 CG HIS A 103 -0.043 8.551 3.467 1.00 12.00 C ATOM 1607 ND1 HIS A 103 0.852 8.061 2.537 1.00 12.00 N flip ATOM 1608 CD2 HIS A 103 0.708 8.791 4.609 1.00 12.00 C flip ATOM 1609 CE1 HIS A 103 2.121 8.003 3.089 1.00 12.00 C flip ATOM 1610 NE2 HIS A 103 1.982 8.449 4.335 1.00 12.00 N flip ATOM 0 H HIS A 103 -0.857 6.365 1.926 1.00 12.00 H new ATOM 0 HA HIS A 103 -3.100 7.311 3.660 1.00 12.00 H new ATOM 0 HB2 HIS A 103 -1.748 9.638 2.740 1.00 12.00 H new ATOM 0 HB3 HIS A 103 -1.901 9.094 4.399 1.00 12.00 H new ATOM 0 HD2 HIS A 103 0.339 9.181 5.546 1.00 12.00 H new ATOM 0 HE1 HIS A 103 3.029 7.668 2.610 1.00 12.00 H new ATOM 0 HE2 HIS A 103 2.749 8.523 5.003 1.00 12.00 H new ATOM 1618 N PHE A 104 -4.213 8.238 1.547 1.00 12.00 N ATOM 1619 CA PHE A 104 -4.845 8.550 0.223 1.00 12.00 C ATOM 1620 C PHE A 104 -5.027 10.065 0.121 1.00 12.00 C ATOM 1621 O PHE A 104 -5.486 10.702 1.055 1.00 12.00 O ATOM 1622 CB PHE A 104 -6.201 7.818 0.025 1.00 12.00 C ATOM 1623 CG PHE A 104 -6.150 6.969 -1.242 1.00 12.00 C ATOM 1624 CD1 PHE A 104 -5.454 7.433 -2.365 1.00 12.00 C ATOM 1625 CD2 PHE A 104 -6.781 5.718 -1.286 1.00 12.00 C ATOM 1626 CE1 PHE A 104 -5.380 6.669 -3.518 1.00 12.00 C ATOM 1627 CE2 PHE A 104 -6.708 4.942 -2.454 1.00 12.00 C ATOM 1628 CZ PHE A 104 -6.004 5.420 -3.570 1.00 12.00 C ATOM 0 H PHE A 104 -4.811 8.369 2.363 1.00 12.00 H new ATOM 0 HA PHE A 104 -4.188 8.191 -0.570 1.00 12.00 H new ATOM 0 HB2 PHE A 104 -6.414 7.187 0.888 1.00 12.00 H new ATOM 0 HB3 PHE A 104 -7.010 8.545 -0.046 1.00 12.00 H new ATOM 0 HD1 PHE A 104 -4.969 8.398 -2.332 1.00 12.00 H new ATOM 0 HD2 PHE A 104 -7.321 5.353 -0.425 1.00 12.00 H new ATOM 0 HE1 PHE A 104 -4.840 7.039 -4.377 1.00 12.00 H new ATOM 0 HE2 PHE A 104 -7.193 3.978 -2.493 1.00 12.00 H new ATOM 0 HZ PHE A 104 -5.945 4.823 -4.468 1.00 12.00 H new ATOM 1638 N ALA A 105 -4.627 10.646 -0.995 1.00 12.00 N ATOM 1639 CA ALA A 105 -4.721 12.135 -1.164 1.00 12.00 C ATOM 1640 C ALA A 105 -5.946 12.543 -1.993 1.00 12.00 C ATOM 1641 O ALA A 105 -6.417 13.663 -1.875 1.00 12.00 O ATOM 1642 CB ALA A 105 -3.456 12.635 -1.858 1.00 12.00 C ATOM 0 H ALA A 105 -4.239 10.148 -1.796 1.00 12.00 H new ATOM 0 HA ALA A 105 -4.825 12.582 -0.175 1.00 12.00 H new ATOM 0 HB1 ALA A 105 -3.514 13.716 -1.986 1.00 12.00 H new ATOM 0 HB2 ALA A 105 -2.586 12.388 -1.250 1.00 12.00 H new ATOM 0 HB3 ALA A 105 -3.364 12.159 -2.834 1.00 12.00 H new ATOM 1648 N GLY A 106 -6.456 11.662 -2.831 1.00 12.00 N ATOM 1649 CA GLY A 106 -7.648 12.022 -3.673 1.00 12.00 C ATOM 1650 C GLY A 106 -8.031 10.858 -4.588 1.00 12.00 C ATOM 1651 O GLY A 106 -7.389 9.819 -4.596 1.00 12.00 O ATOM 0 H GLY A 106 -6.100 10.716 -2.967 1.00 12.00 H new ATOM 0 HA2 GLY A 106 -8.490 12.279 -3.030 1.00 12.00 H new ATOM 0 HA3 GLY A 106 -7.424 12.904 -4.272 1.00 12.00 H new ATOM 1655 N ILE A 107 -9.087 11.042 -5.353 1.00 12.00 N ATOM 1656 CA ILE A 107 -9.572 9.974 -6.286 1.00 12.00 C ATOM 1657 C ILE A 107 -8.953 10.151 -7.684 1.00 12.00 C ATOM 1658 O ILE A 107 -9.514 9.708 -8.677 1.00 12.00 O ATOM 1659 CB ILE A 107 -11.102 10.041 -6.378 1.00 12.00 C ATOM 1660 CG1 ILE A 107 -11.541 11.466 -6.725 1.00 12.00 C ATOM 1661 CG2 ILE A 107 -11.704 9.636 -5.033 1.00 12.00 C ATOM 1662 CD1 ILE A 107 -12.928 11.431 -7.366 1.00 12.00 C ATOM 0 H ILE A 107 -9.639 11.900 -5.368 1.00 12.00 H new ATOM 0 HA ILE A 107 -9.269 9.001 -5.900 1.00 12.00 H new ATOM 0 HB ILE A 107 -11.448 9.362 -7.157 1.00 12.00 H new ATOM 0 HG12 ILE A 107 -11.560 12.081 -5.825 1.00 12.00 H new ATOM 0 HG13 ILE A 107 -10.825 11.922 -7.408 1.00 12.00 H new ATOM 0 HG21 ILE A 107 -12.791 9.682 -5.093 1.00 12.00 H new ATOM 0 HG22 ILE A 107 -11.396 8.619 -4.788 1.00 12.00 H new ATOM 0 HG23 ILE A 107 -11.354 10.318 -4.258 1.00 12.00 H new ATOM 0 HD11 ILE A 107 -13.240 12.446 -7.613 1.00 12.00 H new ATOM 0 HD12 ILE A 107 -12.894 10.830 -8.275 1.00 12.00 H new ATOM 0 HD13 ILE A 107 -13.641 10.992 -6.668 1.00 12.00 H new ATOM 1674 N GLY A 108 -7.798 10.786 -7.764 1.00 12.00 N ATOM 1675 CA GLY A 108 -7.121 10.995 -9.086 1.00 12.00 C ATOM 1676 C GLY A 108 -6.625 12.440 -9.186 1.00 12.00 C ATOM 1677 O GLY A 108 -5.461 12.681 -9.460 1.00 12.00 O ATOM 0 H GLY A 108 -7.296 11.169 -6.963 1.00 12.00 H new ATOM 0 HA2 GLY A 108 -6.284 10.305 -9.191 1.00 12.00 H new ATOM 0 HA3 GLY A 108 -7.815 10.781 -9.899 1.00 12.00 H new