USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 819 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 48 THR OG1 : rot 69:sc= -0.166! USER MOD Set 1.2: B 93 GLN : amide:sc= 0.229 K(o=0.063,f=-7.7!) USER MOD Set 2.1: B 74 HIS : no HD1:sc= -0.132 X(o=-0.53,f=-0.4) USER MOD Set 2.2: B 81 GLN : amide:sc= -0.399 K(o=-0.53,f=-2.1) USER MOD Set 3.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 69 MET CE :methyl 169:sc= -2.75 (180deg=-2.91!) USER MOD Set 4.1: A 44 THR OG1 : rot -158:sc= 1.21 USER MOD Set 4.2: B 101 HIS : no HE2:sc= -1.21! C(o=0.0012!,f=-11!) USER MOD Set 5.1: A 39 SER OG : rot 180:sc= -0.171 USER MOD Set 5.2: B 98 MET CE :methyl 156:sc= -0.464 (180deg=-1.62) USER MOD Set 6.1: A 23 ASN : amide:sc= 0.326 K(o=0.63,f=0.061) USER MOD Set 6.2: A 24 ASN :FLIP amide:sc= 0.303 F(o=0.061,f=0.63) USER MOD Set 7.1: A 8 HIS : no HD1:sc= 1.41 K(o=1.8,f=-6.3!) USER MOD Set 7.2: A 53 TYR OH : rot -21:sc= 0.374 USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0778 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0765 X(o=-0.076,f=-0.076) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -152:sc= 1.18 (180deg=-0.134) USER MOD Single : A 10 SER OG : rot 180:sc= 0.176 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.0874 F(o=-1.7!,f=-0.087) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.244 K(o=-0.24,f=-4.9!) USER MOD Single : A 49 SER OG : rot 37:sc= 0.512 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.322 K(o=0.32,f=-0.92) USER MOD Single : A 67 GLN : amide:sc= -0.277 K(o=-0.28,f=-2.2) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.291 F(o=-0.93,f=-0.29) USER MOD Single : B 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 85 GLN : amide:sc= -0.0212 X(o=-0.021,f=-0.081) USER MOD Single : B 86 HIS : no HE2:sc= -0.214 K(o=-0.21,f=-3!) USER MOD Single : B 90 HIS : no HD1:sc= -3.61! C(o=-3.6!,f=-3.3!) USER MOD Single : B 97 ASN : amide:sc= -2.14 K(o=-2.1,f=-7.8!) USER MOD Single : B 107 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.463 26.106 -2.568 1.00 0.00 N ATOM 2 CA GLY A 1 -19.468 24.950 -3.492 1.00 0.00 C ATOM 3 C GLY A 1 -18.394 23.944 -3.139 1.00 0.00 C ATOM 4 O GLY A 1 -17.882 23.946 -2.020 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.440 26.337 -2.296 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.914 25.868 -1.717 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.032 26.926 -3.040 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.444 24.465 -3.463 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.317 25.300 -4.513 1.00 0.00 H new ATOM 10 N HIS A 2 -18.049 23.085 -4.091 1.00 0.00 N ATOM 11 CA HIS A 2 -17.014 22.085 -3.884 1.00 0.00 C ATOM 12 C HIS A 2 -16.511 21.565 -5.228 1.00 0.00 C ATOM 13 O HIS A 2 -17.301 21.189 -6.097 1.00 0.00 O ATOM 14 CB HIS A 2 -17.529 20.931 -3.001 1.00 0.00 C ATOM 15 CG HIS A 2 -18.471 19.971 -3.682 1.00 0.00 C ATOM 16 ND1 HIS A 2 -19.736 20.313 -4.118 1.00 0.00 N ATOM 17 CD2 HIS A 2 -18.312 18.664 -4.002 1.00 0.00 C ATOM 18 CE1 HIS A 2 -20.309 19.259 -4.672 1.00 0.00 C ATOM 19 NE2 HIS A 2 -19.467 18.247 -4.615 1.00 0.00 N ATOM 0 H HIS A 2 -18.475 23.063 -5.018 1.00 0.00 H new ATOM 0 HA HIS A 2 -16.180 22.552 -3.360 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -16.672 20.370 -2.628 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -18.034 21.356 -2.134 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -17.437 18.061 -3.810 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -21.300 19.232 -5.099 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -19.645 17.307 -4.969 1.00 0.00 H new ATOM 28 N MET A 3 -15.201 21.567 -5.404 1.00 0.00 N ATOM 29 CA MET A 3 -14.600 21.084 -6.638 1.00 0.00 C ATOM 30 C MET A 3 -13.493 20.077 -6.350 1.00 0.00 C ATOM 31 O MET A 3 -12.850 19.563 -7.265 1.00 0.00 O ATOM 32 CB MET A 3 -14.069 22.250 -7.482 1.00 0.00 C ATOM 33 CG MET A 3 -13.049 23.131 -6.778 1.00 0.00 C ATOM 34 SD MET A 3 -12.503 24.505 -7.812 1.00 0.00 S ATOM 35 CE MET A 3 -11.363 25.332 -6.706 1.00 0.00 C ATOM 0 H MET A 3 -14.532 21.898 -4.709 1.00 0.00 H new ATOM 0 HA MET A 3 -15.376 20.577 -7.211 1.00 0.00 H new ATOM 0 HB2 MET A 3 -13.617 21.848 -8.389 1.00 0.00 H new ATOM 0 HB3 MET A 3 -14.911 22.869 -7.792 1.00 0.00 H new ATOM 0 HG2 MET A 3 -13.483 23.522 -5.858 1.00 0.00 H new ATOM 0 HG3 MET A 3 -12.187 22.528 -6.493 1.00 0.00 H new ATOM 0 HE1 MET A 3 -10.941 26.205 -7.204 1.00 0.00 H new ATOM 0 HE2 MET A 3 -11.893 25.648 -5.807 1.00 0.00 H new ATOM 0 HE3 MET A 3 -10.560 24.647 -6.433 1.00 0.00 H new ATOM 45 N SER A 4 -13.277 19.793 -5.076 1.00 0.00 N ATOM 46 CA SER A 4 -12.316 18.777 -4.675 1.00 0.00 C ATOM 47 C SER A 4 -13.023 17.428 -4.522 1.00 0.00 C ATOM 48 O SER A 4 -13.101 16.865 -3.426 1.00 0.00 O ATOM 49 CB SER A 4 -11.651 19.184 -3.363 1.00 0.00 C ATOM 50 OG SER A 4 -11.266 20.550 -3.387 1.00 0.00 O ATOM 0 H SER A 4 -13.755 20.252 -4.300 1.00 0.00 H new ATOM 0 HA SER A 4 -11.547 18.683 -5.441 1.00 0.00 H new ATOM 0 HB2 SER A 4 -12.338 19.011 -2.535 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.775 18.559 -3.186 1.00 0.00 H new ATOM 0 HG SER A 4 -10.844 20.786 -2.535 1.00 0.00 H new ATOM 56 N GLY A 5 -13.543 16.917 -5.630 1.00 0.00 N ATOM 57 CA GLY A 5 -14.336 15.705 -5.585 1.00 0.00 C ATOM 58 C GLY A 5 -13.490 14.454 -5.677 1.00 0.00 C ATOM 59 O GLY A 5 -13.806 13.435 -5.063 1.00 0.00 O ATOM 0 H GLY A 5 -13.430 17.321 -6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.909 15.684 -4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -15.055 15.715 -6.404 1.00 0.00 H new ATOM 63 N PHE A 6 -12.418 14.527 -6.448 1.00 0.00 N ATOM 64 CA PHE A 6 -11.532 13.389 -6.635 1.00 0.00 C ATOM 65 C PHE A 6 -10.456 13.374 -5.556 1.00 0.00 C ATOM 66 O PHE A 6 -9.526 14.179 -5.580 1.00 0.00 O ATOM 67 CB PHE A 6 -10.899 13.443 -8.030 1.00 0.00 C ATOM 68 CG PHE A 6 -10.085 12.232 -8.378 1.00 0.00 C ATOM 69 CD1 PHE A 6 -10.677 10.981 -8.456 1.00 0.00 C ATOM 70 CD2 PHE A 6 -8.725 12.342 -8.623 1.00 0.00 C ATOM 71 CE1 PHE A 6 -9.927 9.864 -8.771 1.00 0.00 C ATOM 72 CE2 PHE A 6 -7.972 11.228 -8.939 1.00 0.00 C ATOM 73 CZ PHE A 6 -8.582 9.988 -9.033 1.00 0.00 C ATOM 0 H PHE A 6 -12.139 15.366 -6.957 1.00 0.00 H new ATOM 0 HA PHE A 6 -12.112 12.470 -6.551 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.689 13.563 -8.772 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.264 14.326 -8.096 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -11.736 10.878 -8.269 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.249 13.310 -8.566 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -10.397 8.893 -8.812 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -6.910 11.324 -9.112 1.00 0.00 H new ATOM 0 HZ PHE A 6 -8.003 9.120 -9.311 1.00 0.00 H new ATOM 83 N LYS A 7 -10.588 12.459 -4.606 1.00 0.00 N ATOM 84 CA LYS A 7 -9.649 12.380 -3.495 1.00 0.00 C ATOM 85 C LYS A 7 -8.475 11.480 -3.859 1.00 0.00 C ATOM 86 O LYS A 7 -8.429 10.302 -3.486 1.00 0.00 O ATOM 87 CB LYS A 7 -10.339 11.864 -2.233 1.00 0.00 C ATOM 88 CG LYS A 7 -9.502 12.015 -0.971 1.00 0.00 C ATOM 89 CD LYS A 7 -9.174 13.471 -0.690 1.00 0.00 C ATOM 90 CE LYS A 7 -8.585 13.655 0.700 1.00 0.00 C ATOM 91 NZ LYS A 7 -9.561 13.313 1.769 1.00 0.00 N ATOM 0 H LYS A 7 -11.333 11.763 -4.582 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.275 13.384 -3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.280 12.398 -2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.587 10.811 -2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.041 11.593 -0.123 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.578 11.447 -1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.468 13.836 -1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.078 14.073 -0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.699 13.029 0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.261 14.688 0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.345 13.863 2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.523 13.539 1.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.498 12.298 1.985 1.00 0.00 H new ATOM 105 N HIS A 8 -7.543 12.050 -4.604 1.00 0.00 N ATOM 106 CA HIS A 8 -6.350 11.348 -5.050 1.00 0.00 C ATOM 107 C HIS A 8 -5.454 12.323 -5.813 1.00 0.00 C ATOM 108 O HIS A 8 -5.212 12.164 -7.008 1.00 0.00 O ATOM 109 CB HIS A 8 -6.741 10.157 -5.934 1.00 0.00 C ATOM 110 CG HIS A 8 -5.594 9.292 -6.337 1.00 0.00 C ATOM 111 ND1 HIS A 8 -5.267 9.045 -7.649 1.00 0.00 N ATOM 112 CD2 HIS A 8 -4.701 8.602 -5.592 1.00 0.00 C ATOM 113 CE1 HIS A 8 -4.226 8.243 -7.694 1.00 0.00 C ATOM 114 NE2 HIS A 8 -3.858 7.958 -6.459 1.00 0.00 N ATOM 0 H HIS A 8 -7.593 13.019 -4.919 1.00 0.00 H new ATOM 0 HA HIS A 8 -5.803 10.963 -4.190 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.471 9.548 -5.401 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.232 10.531 -6.832 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.660 8.565 -4.513 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.751 7.878 -8.593 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.076 7.358 -6.194 1.00 0.00 H new ATOM 123 N VAL A 9 -4.973 13.340 -5.110 1.00 0.00 N ATOM 124 CA VAL A 9 -4.236 14.426 -5.746 1.00 0.00 C ATOM 125 C VAL A 9 -2.931 14.681 -5.002 1.00 0.00 C ATOM 126 O VAL A 9 -1.978 15.225 -5.556 1.00 0.00 O ATOM 127 CB VAL A 9 -5.067 15.732 -5.783 1.00 0.00 C ATOM 128 CG1 VAL A 9 -4.357 16.799 -6.598 1.00 0.00 C ATOM 129 CG2 VAL A 9 -6.462 15.479 -6.342 1.00 0.00 C ATOM 0 H VAL A 9 -5.079 13.436 -4.100 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.025 14.123 -6.771 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.170 16.090 -4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.959 17.708 -6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.386 17.013 -6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.216 16.443 -7.619 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.023 16.413 -6.356 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.382 15.088 -7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.980 14.754 -5.714 1.00 0.00 H new ATOM 139 N SER A 10 -2.893 14.258 -3.748 1.00 0.00 N ATOM 140 CA SER A 10 -1.715 14.413 -2.903 1.00 0.00 C ATOM 141 C SER A 10 -0.522 13.633 -3.452 1.00 0.00 C ATOM 142 O SER A 10 0.611 13.826 -3.010 1.00 0.00 O ATOM 143 CB SER A 10 -2.041 13.910 -1.494 1.00 0.00 C ATOM 144 OG SER A 10 -2.586 12.598 -1.546 1.00 0.00 O ATOM 0 H SER A 10 -3.677 13.797 -3.286 1.00 0.00 H new ATOM 0 HA SER A 10 -1.447 15.469 -2.882 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.138 13.911 -0.883 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.750 14.586 -1.015 1.00 0.00 H new ATOM 0 HG SER A 10 -2.787 12.291 -0.637 1.00 0.00 H new ATOM 150 N HIS A 11 -0.802 12.743 -4.412 1.00 0.00 N ATOM 151 CA HIS A 11 0.168 11.764 -4.904 1.00 0.00 C ATOM 152 C HIS A 11 0.443 10.734 -3.821 1.00 0.00 C ATOM 153 O HIS A 11 1.247 9.823 -4.000 1.00 0.00 O ATOM 154 CB HIS A 11 1.466 12.426 -5.383 1.00 0.00 C ATOM 155 CG HIS A 11 1.328 13.095 -6.714 1.00 0.00 C ATOM 156 ND1 HIS A 11 1.208 14.457 -6.867 1.00 0.00 N ATOM 157 CD2 HIS A 11 1.280 12.573 -7.960 1.00 0.00 C ATOM 158 CE1 HIS A 11 1.090 14.743 -8.149 1.00 0.00 C ATOM 159 NE2 HIS A 11 1.133 13.618 -8.833 1.00 0.00 N ATOM 0 H HIS A 11 -1.712 12.684 -4.869 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.262 11.265 -5.773 1.00 0.00 H new ATOM 0 HB2 HIS A 11 1.785 13.162 -4.645 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.251 11.672 -5.442 1.00 0.00 H new ATOM 0 HD2 HIS A 11 1.345 11.527 -8.219 1.00 0.00 H new ATOM 0 HE1 HIS A 11 0.977 15.732 -8.567 1.00 0.00 H new ATOM 0 HE2 HIS A 11 1.067 13.538 -9.848 1.00 0.00 H new ATOM 168 N VAL A 12 -0.270 10.894 -2.701 1.00 0.00 N ATOM 169 CA VAL A 12 -0.221 9.972 -1.564 1.00 0.00 C ATOM 170 C VAL A 12 1.208 9.744 -1.049 1.00 0.00 C ATOM 171 O VAL A 12 1.478 8.781 -0.331 1.00 0.00 O ATOM 172 CB VAL A 12 -0.868 8.626 -1.938 1.00 0.00 C ATOM 173 CG1 VAL A 12 -1.290 7.860 -0.698 1.00 0.00 C ATOM 174 CG2 VAL A 12 -2.062 8.848 -2.855 1.00 0.00 C ATOM 0 H VAL A 12 -0.906 11.679 -2.558 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.785 10.437 -0.755 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.125 8.030 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.744 6.914 -0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.417 7.666 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.013 8.450 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.508 7.887 -3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.801 9.468 -2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.733 9.349 -3.766 1.00 0.00 H new ATOM 184 N GLY A 13 2.116 10.648 -1.399 1.00 0.00 N ATOM 185 CA GLY A 13 3.510 10.491 -1.020 1.00 0.00 C ATOM 186 C GLY A 13 4.147 9.275 -1.666 1.00 0.00 C ATOM 187 O GLY A 13 5.154 8.755 -1.182 1.00 0.00 O ATOM 0 H GLY A 13 1.912 11.489 -1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.065 11.385 -1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.582 10.404 0.064 1.00 0.00 H new ATOM 191 N TRP A 14 3.563 8.830 -2.769 1.00 0.00 N ATOM 192 CA TRP A 14 4.031 7.642 -3.463 1.00 0.00 C ATOM 193 C TRP A 14 4.929 8.020 -4.636 1.00 0.00 C ATOM 194 O TRP A 14 4.609 8.925 -5.414 1.00 0.00 O ATOM 195 CB TRP A 14 2.839 6.817 -3.957 1.00 0.00 C ATOM 196 CG TRP A 14 3.235 5.572 -4.686 1.00 0.00 C ATOM 197 CD1 TRP A 14 3.576 4.376 -4.131 1.00 0.00 C ATOM 198 CD2 TRP A 14 3.328 5.400 -6.104 1.00 0.00 C ATOM 199 NE1 TRP A 14 3.875 3.468 -5.113 1.00 0.00 N ATOM 200 CE2 TRP A 14 3.730 4.072 -6.336 1.00 0.00 C ATOM 201 CE3 TRP A 14 3.107 6.239 -7.199 1.00 0.00 C ATOM 202 CZ2 TRP A 14 3.919 3.567 -7.618 1.00 0.00 C ATOM 203 CZ3 TRP A 14 3.294 5.737 -8.471 1.00 0.00 C ATOM 204 CH2 TRP A 14 3.694 4.411 -8.672 1.00 0.00 C ATOM 0 H TRP A 14 2.757 9.279 -3.205 1.00 0.00 H new ATOM 0 HA TRP A 14 4.613 7.042 -2.764 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.216 6.547 -3.104 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.228 7.435 -4.615 1.00 0.00 H new ATOM 0 HD1 TRP A 14 3.606 4.173 -3.071 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.159 2.500 -4.959 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.795 7.263 -7.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.232 2.546 -7.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.129 6.378 -9.325 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.828 4.046 -9.680 1.00 0.00 H new ATOM 215 N ASP A 15 6.046 7.323 -4.754 1.00 0.00 N ATOM 216 CA ASP A 15 6.981 7.543 -5.845 1.00 0.00 C ATOM 217 C ASP A 15 7.086 6.274 -6.695 1.00 0.00 C ATOM 218 O ASP A 15 7.170 5.176 -6.154 1.00 0.00 O ATOM 219 CB ASP A 15 8.350 7.940 -5.292 1.00 0.00 C ATOM 220 CG ASP A 15 9.207 8.654 -6.311 1.00 0.00 C ATOM 221 OD1 ASP A 15 8.948 9.843 -6.588 1.00 0.00 O ATOM 222 OD2 ASP A 15 10.150 8.033 -6.840 1.00 0.00 O ATOM 0 H ASP A 15 6.330 6.593 -4.101 1.00 0.00 H new ATOM 0 HA ASP A 15 6.619 8.356 -6.474 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.213 8.584 -4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.871 7.047 -4.948 1.00 0.00 H new ATOM 227 N PRO A 16 7.081 6.438 -8.032 1.00 0.00 N ATOM 228 CA PRO A 16 7.027 5.356 -9.027 1.00 0.00 C ATOM 229 C PRO A 16 7.648 4.020 -8.598 1.00 0.00 C ATOM 230 O PRO A 16 6.934 3.042 -8.387 1.00 0.00 O ATOM 231 CB PRO A 16 7.812 5.954 -10.187 1.00 0.00 C ATOM 232 CG PRO A 16 7.552 7.425 -10.115 1.00 0.00 C ATOM 233 CD PRO A 16 7.125 7.744 -8.700 1.00 0.00 C ATOM 0 HA PRO A 16 5.994 5.078 -9.237 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.876 5.737 -10.097 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.482 5.541 -11.141 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.448 7.986 -10.380 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.775 7.712 -10.824 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.831 8.416 -8.213 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.152 8.235 -8.679 1.00 0.00 H new ATOM 241 N GLN A 17 8.971 3.974 -8.491 1.00 0.00 N ATOM 242 CA GLN A 17 9.660 2.723 -8.188 1.00 0.00 C ATOM 243 C GLN A 17 10.111 2.680 -6.730 1.00 0.00 C ATOM 244 O GLN A 17 10.299 1.607 -6.159 1.00 0.00 O ATOM 245 CB GLN A 17 10.857 2.532 -9.124 1.00 0.00 C ATOM 246 CG GLN A 17 11.612 1.228 -8.896 1.00 0.00 C ATOM 247 CD GLN A 17 12.745 1.011 -9.881 1.00 0.00 C ATOM 248 OE1 GLN A 17 13.351 2.093 -10.343 1.00 0.00 O flip ATOM 249 NE2 GLN A 17 13.075 -0.128 -10.219 1.00 0.00 N flip ATOM 0 H GLN A 17 9.585 4.780 -8.608 1.00 0.00 H new ATOM 0 HA GLN A 17 8.957 1.905 -8.346 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.508 2.564 -10.156 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.545 3.367 -8.994 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.014 1.221 -7.883 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.913 0.394 -8.967 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.582 -0.936 -9.839 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.841 -0.262 -10.878 1.00 0.00 H new ATOM 258 N ASN A 18 10.281 3.849 -6.129 1.00 0.00 N ATOM 259 CA ASN A 18 10.761 3.926 -4.757 1.00 0.00 C ATOM 260 C ASN A 18 9.663 3.515 -3.780 1.00 0.00 C ATOM 261 O ASN A 18 9.941 2.967 -2.715 1.00 0.00 O ATOM 262 CB ASN A 18 11.277 5.329 -4.436 1.00 0.00 C ATOM 263 CG ASN A 18 12.103 5.371 -3.161 1.00 0.00 C ATOM 264 OD1 ASN A 18 12.782 4.271 -2.852 1.00 0.00 O flip ATOM 265 ND2 ASN A 18 12.143 6.384 -2.464 1.00 0.00 N flip ATOM 0 H ASN A 18 10.095 4.752 -6.566 1.00 0.00 H new ATOM 0 HA ASN A 18 11.593 3.230 -4.649 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.882 5.689 -5.268 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.431 6.010 -4.339 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.608 7.210 -2.733 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.711 6.398 -1.617 1.00 0.00 H new ATOM 272 N GLY A 19 8.419 3.774 -4.155 1.00 0.00 N ATOM 273 CA GLY A 19 7.296 3.307 -3.375 1.00 0.00 C ATOM 274 C GLY A 19 6.690 4.376 -2.495 1.00 0.00 C ATOM 275 O GLY A 19 6.778 5.569 -2.794 1.00 0.00 O ATOM 0 H GLY A 19 8.168 4.302 -4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.530 2.924 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.618 2.473 -2.751 1.00 0.00 H new ATOM 279 N PHE A 20 6.070 3.939 -1.409 1.00 0.00 N ATOM 280 CA PHE A 20 5.417 4.839 -0.471 1.00 0.00 C ATOM 281 C PHE A 20 6.419 5.365 0.540 1.00 0.00 C ATOM 282 O PHE A 20 7.328 4.644 0.958 1.00 0.00 O ATOM 283 CB PHE A 20 4.290 4.125 0.290 1.00 0.00 C ATOM 284 CG PHE A 20 3.085 3.779 -0.538 1.00 0.00 C ATOM 285 CD1 PHE A 20 2.159 4.750 -0.879 1.00 0.00 C ATOM 286 CD2 PHE A 20 2.891 2.484 -0.994 1.00 0.00 C ATOM 287 CE1 PHE A 20 1.061 4.437 -1.655 1.00 0.00 C ATOM 288 CE2 PHE A 20 1.795 2.166 -1.772 1.00 0.00 C ATOM 289 CZ PHE A 20 0.836 3.133 -2.036 1.00 0.00 C ATOM 0 H PHE A 20 6.006 2.954 -1.154 1.00 0.00 H new ATOM 0 HA PHE A 20 4.997 5.663 -1.049 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.689 3.208 0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.973 4.759 1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.297 5.764 -0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.605 1.715 -0.738 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.378 5.215 -1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.685 1.169 -2.173 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.082 2.865 -2.538 1.00 0.00 H new ATOM 299 N ASP A 21 6.252 6.618 0.930 1.00 0.00 N ATOM 300 CA ASP A 21 7.053 7.187 2.001 1.00 0.00 C ATOM 301 C ASP A 21 6.606 6.574 3.322 1.00 0.00 C ATOM 302 O ASP A 21 5.758 7.125 4.015 1.00 0.00 O ATOM 303 CB ASP A 21 6.898 8.711 2.046 1.00 0.00 C ATOM 304 CG ASP A 21 7.951 9.395 2.903 1.00 0.00 C ATOM 305 OD1 ASP A 21 8.211 8.910 4.026 1.00 0.00 O ATOM 306 OD2 ASP A 21 8.539 10.404 2.463 1.00 0.00 O ATOM 0 H ASP A 21 5.571 7.259 0.522 1.00 0.00 H new ATOM 0 HA ASP A 21 8.105 6.964 1.823 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.952 9.105 1.031 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.909 8.958 2.431 1.00 0.00 H new ATOM 311 N VAL A 22 7.166 5.416 3.642 1.00 0.00 N ATOM 312 CA VAL A 22 6.774 4.659 4.826 1.00 0.00 C ATOM 313 C VAL A 22 7.049 5.440 6.113 1.00 0.00 C ATOM 314 O VAL A 22 6.389 5.232 7.132 1.00 0.00 O ATOM 315 CB VAL A 22 7.492 3.288 4.860 1.00 0.00 C ATOM 316 CG1 VAL A 22 9.001 3.459 4.953 1.00 0.00 C ATOM 317 CG2 VAL A 22 6.971 2.423 5.997 1.00 0.00 C ATOM 0 H VAL A 22 7.902 4.975 3.091 1.00 0.00 H new ATOM 0 HA VAL A 22 5.699 4.490 4.765 1.00 0.00 H new ATOM 0 HB VAL A 22 7.271 2.777 3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.478 2.479 4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.358 4.017 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.250 4.004 5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.494 1.467 5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.143 2.929 6.947 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.903 2.253 5.864 1.00 0.00 H new ATOM 327 N ASN A 23 7.999 6.360 6.044 1.00 0.00 N ATOM 328 CA ASN A 23 8.356 7.177 7.194 1.00 0.00 C ATOM 329 C ASN A 23 7.290 8.243 7.431 1.00 0.00 C ATOM 330 O ASN A 23 6.973 8.580 8.571 1.00 0.00 O ATOM 331 CB ASN A 23 9.728 7.828 6.977 1.00 0.00 C ATOM 332 CG ASN A 23 10.165 8.700 8.138 1.00 0.00 C ATOM 333 OD1 ASN A 23 10.764 8.219 9.101 1.00 0.00 O ATOM 334 ND2 ASN A 23 9.882 9.989 8.048 1.00 0.00 N ATOM 0 H ASN A 23 8.538 6.560 5.201 1.00 0.00 H new ATOM 0 HA ASN A 23 8.412 6.539 8.076 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.472 7.048 6.817 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.698 8.431 6.069 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.162 10.626 8.794 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.384 10.346 7.233 1.00 0.00 H new ATOM 341 N ASN A 24 6.734 8.763 6.346 1.00 0.00 N ATOM 342 CA ASN A 24 5.699 9.783 6.423 1.00 0.00 C ATOM 343 C ASN A 24 4.396 9.262 5.833 1.00 0.00 C ATOM 344 O ASN A 24 3.704 9.966 5.093 1.00 0.00 O ATOM 345 CB ASN A 24 6.133 11.047 5.683 1.00 0.00 C ATOM 346 CG ASN A 24 7.426 11.628 6.219 1.00 0.00 C ATOM 347 OD1 ASN A 24 8.543 11.250 5.614 1.00 0.00 O flip ATOM 348 ND2 ASN A 24 7.424 12.406 7.174 1.00 0.00 N flip ATOM 0 H ASN A 24 6.985 8.492 5.395 1.00 0.00 H new ATOM 0 HA ASN A 24 5.541 10.028 7.473 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.254 10.819 4.624 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.345 11.796 5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.543 12.673 7.613 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.304 12.784 7.526 1.00 0.00 H new ATOM 355 N LEU A 25 4.072 8.024 6.168 1.00 0.00 N ATOM 356 CA LEU A 25 2.867 7.380 5.670 1.00 0.00 C ATOM 357 C LEU A 25 1.622 8.063 6.209 1.00 0.00 C ATOM 358 O LEU A 25 1.582 8.490 7.365 1.00 0.00 O ATOM 359 CB LEU A 25 2.861 5.902 6.071 1.00 0.00 C ATOM 360 CG LEU A 25 3.273 4.918 4.984 1.00 0.00 C ATOM 361 CD1 LEU A 25 3.376 3.518 5.562 1.00 0.00 C ATOM 362 CD2 LEU A 25 2.282 4.938 3.837 1.00 0.00 C ATOM 0 H LEU A 25 4.632 7.440 6.789 1.00 0.00 H new ATOM 0 HA LEU A 25 2.861 7.462 4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.529 5.774 6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.858 5.641 6.410 1.00 0.00 H new ATOM 0 HG LEU A 25 4.248 5.217 4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.671 2.821 4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.122 3.506 6.357 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.409 3.220 5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.596 4.228 3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.294 4.662 4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.242 5.939 3.408 1.00 0.00 H new ATOM 374 N ASP A 26 0.618 8.190 5.353 1.00 0.00 N ATOM 375 CA ASP A 26 -0.680 8.693 5.773 1.00 0.00 C ATOM 376 C ASP A 26 -1.221 7.792 6.873 1.00 0.00 C ATOM 377 O ASP A 26 -1.194 6.569 6.746 1.00 0.00 O ATOM 378 CB ASP A 26 -1.653 8.727 4.593 1.00 0.00 C ATOM 379 CG ASP A 26 -3.004 9.295 4.982 1.00 0.00 C ATOM 380 OD1 ASP A 26 -3.845 8.532 5.498 1.00 0.00 O ATOM 381 OD2 ASP A 26 -3.220 10.513 4.777 1.00 0.00 O ATOM 0 H ASP A 26 0.678 7.951 4.363 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.570 9.711 6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.226 9.327 3.789 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.784 7.718 4.203 1.00 0.00 H new ATOM 386 N PRO A 27 -1.681 8.404 7.980 1.00 0.00 N ATOM 387 CA PRO A 27 -2.113 7.691 9.193 1.00 0.00 C ATOM 388 C PRO A 27 -3.062 6.519 8.936 1.00 0.00 C ATOM 389 O PRO A 27 -3.140 5.595 9.748 1.00 0.00 O ATOM 390 CB PRO A 27 -2.827 8.775 9.998 1.00 0.00 C ATOM 391 CG PRO A 27 -2.172 10.043 9.586 1.00 0.00 C ATOM 392 CD PRO A 27 -1.798 9.868 8.139 1.00 0.00 C ATOM 0 HA PRO A 27 -1.260 7.231 9.692 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.895 8.792 9.780 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.723 8.606 11.070 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.846 10.890 9.715 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.290 10.242 10.195 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.558 10.283 7.476 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.861 10.372 7.904 1.00 0.00 H new ATOM 400 N ASP A 28 -3.785 6.554 7.822 1.00 0.00 N ATOM 401 CA ASP A 28 -4.704 5.471 7.485 1.00 0.00 C ATOM 402 C ASP A 28 -3.957 4.351 6.770 1.00 0.00 C ATOM 403 O ASP A 28 -4.045 3.191 7.164 1.00 0.00 O ATOM 404 CB ASP A 28 -5.847 5.993 6.614 1.00 0.00 C ATOM 405 CG ASP A 28 -7.017 5.036 6.554 1.00 0.00 C ATOM 406 OD1 ASP A 28 -7.016 4.143 5.690 1.00 0.00 O ATOM 407 OD2 ASP A 28 -7.947 5.190 7.378 1.00 0.00 O ATOM 0 H ASP A 28 -3.754 7.313 7.142 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.128 5.073 8.407 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.187 6.952 7.004 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.477 6.172 5.605 1.00 0.00 H new ATOM 412 N LEU A 29 -3.207 4.707 5.729 1.00 0.00 N ATOM 413 CA LEU A 29 -2.333 3.767 5.040 1.00 0.00 C ATOM 414 C LEU A 29 -1.380 3.084 6.016 1.00 0.00 C ATOM 415 O LEU A 29 -1.190 1.867 5.970 1.00 0.00 O ATOM 416 CB LEU A 29 -1.534 4.513 3.975 1.00 0.00 C ATOM 417 CG LEU A 29 -2.218 4.669 2.619 1.00 0.00 C ATOM 418 CD1 LEU A 29 -3.588 5.305 2.750 1.00 0.00 C ATOM 419 CD2 LEU A 29 -1.341 5.493 1.699 1.00 0.00 C ATOM 0 H LEU A 29 -3.190 5.651 5.343 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.948 2.997 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.295 5.506 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.588 3.992 3.826 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.360 3.675 2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.042 5.399 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.220 4.681 3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.489 6.293 3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.831 5.603 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.178 6.478 2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.382 4.992 1.565 1.00 0.00 H new ATOM 431 N ARG A 30 -0.804 3.880 6.909 1.00 0.00 N ATOM 432 CA ARG A 30 0.106 3.386 7.940 1.00 0.00 C ATOM 433 C ARG A 30 -0.585 2.340 8.816 1.00 0.00 C ATOM 434 O ARG A 30 0.062 1.479 9.415 1.00 0.00 O ATOM 435 CB ARG A 30 0.585 4.561 8.804 1.00 0.00 C ATOM 436 CG ARG A 30 1.495 4.175 9.960 1.00 0.00 C ATOM 437 CD ARG A 30 2.884 3.769 9.493 1.00 0.00 C ATOM 438 NE ARG A 30 3.742 3.409 10.622 1.00 0.00 N ATOM 439 CZ ARG A 30 5.069 3.270 10.552 1.00 0.00 C ATOM 440 NH1 ARG A 30 5.715 3.498 9.415 1.00 0.00 N ATOM 441 NH2 ARG A 30 5.753 2.925 11.634 1.00 0.00 N ATOM 0 H ARG A 30 -0.954 4.888 6.940 1.00 0.00 H new ATOM 0 HA ARG A 30 0.962 2.915 7.457 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.112 5.271 8.167 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.287 5.078 9.204 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.578 5.015 10.650 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.045 3.351 10.513 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.807 2.924 8.809 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.337 4.590 8.937 1.00 0.00 H new ATOM 0 HE ARG A 30 3.296 3.253 11.526 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.198 3.783 8.583 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.728 3.389 9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.266 2.767 12.516 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.766 2.818 11.584 1.00 0.00 H new ATOM 455 N SER A 31 -1.903 2.420 8.873 1.00 0.00 N ATOM 456 CA SER A 31 -2.696 1.505 9.670 1.00 0.00 C ATOM 457 C SER A 31 -3.088 0.284 8.837 1.00 0.00 C ATOM 458 O SER A 31 -2.968 -0.859 9.282 1.00 0.00 O ATOM 459 CB SER A 31 -3.954 2.227 10.175 1.00 0.00 C ATOM 460 OG SER A 31 -4.511 1.569 11.300 1.00 0.00 O ATOM 0 H SER A 31 -2.450 3.118 8.370 1.00 0.00 H new ATOM 0 HA SER A 31 -2.107 1.168 10.523 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.704 3.255 10.439 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.694 2.274 9.376 1.00 0.00 H new ATOM 0 HG SER A 31 -5.309 2.052 11.600 1.00 0.00 H new ATOM 466 N LEU A 32 -3.530 0.542 7.615 1.00 0.00 N ATOM 467 CA LEU A 32 -4.097 -0.480 6.751 1.00 0.00 C ATOM 468 C LEU A 32 -3.059 -1.480 6.280 1.00 0.00 C ATOM 469 O LEU A 32 -3.234 -2.686 6.424 1.00 0.00 O ATOM 470 CB LEU A 32 -4.732 0.201 5.545 1.00 0.00 C ATOM 471 CG LEU A 32 -5.621 -0.678 4.678 1.00 0.00 C ATOM 472 CD1 LEU A 32 -4.840 -1.330 3.547 1.00 0.00 C ATOM 473 CD2 LEU A 32 -6.316 -1.738 5.522 1.00 0.00 C ATOM 0 H LEU A 32 -3.505 1.471 7.194 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.840 -1.034 7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.323 1.046 5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.936 0.608 4.921 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.377 -0.033 4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.511 -1.949 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.402 -0.558 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.047 -1.951 3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.947 -2.356 4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.568 -2.364 6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.931 -1.254 6.280 1.00 0.00 H new ATOM 485 N PHE A 33 -2.002 -0.968 5.691 1.00 0.00 N ATOM 486 CA PHE A 33 -0.977 -1.806 5.079 1.00 0.00 C ATOM 487 C PHE A 33 -0.405 -2.809 6.072 1.00 0.00 C ATOM 488 O PHE A 33 -0.127 -3.956 5.720 1.00 0.00 O ATOM 489 CB PHE A 33 0.136 -0.939 4.498 1.00 0.00 C ATOM 490 CG PHE A 33 -0.328 0.006 3.423 1.00 0.00 C ATOM 491 CD1 PHE A 33 -1.458 -0.287 2.680 1.00 0.00 C ATOM 492 CD2 PHE A 33 0.357 1.189 3.160 1.00 0.00 C ATOM 493 CE1 PHE A 33 -1.900 0.574 1.699 1.00 0.00 C ATOM 494 CE2 PHE A 33 -0.083 2.049 2.178 1.00 0.00 C ATOM 495 CZ PHE A 33 -1.158 1.752 1.433 1.00 0.00 C ATOM 0 H PHE A 33 -1.822 0.033 5.619 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.446 -2.371 4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.592 -0.363 5.303 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.912 -1.586 4.089 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.000 -1.201 2.871 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.241 1.435 3.730 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.798 0.354 1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.445 2.975 2.006 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.458 2.410 0.631 1.00 0.00 H new ATOM 505 N SER A 34 -0.266 -2.382 7.315 1.00 0.00 N ATOM 506 CA SER A 34 0.209 -3.254 8.375 1.00 0.00 C ATOM 507 C SER A 34 -0.777 -4.403 8.606 1.00 0.00 C ATOM 508 O SER A 34 -0.382 -5.521 8.936 1.00 0.00 O ATOM 509 CB SER A 34 0.412 -2.442 9.650 1.00 0.00 C ATOM 510 OG SER A 34 0.799 -3.266 10.738 1.00 0.00 O ATOM 0 H SER A 34 -0.477 -1.431 7.616 1.00 0.00 H new ATOM 0 HA SER A 34 1.164 -3.690 8.082 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.174 -1.681 9.480 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.511 -1.919 9.900 1.00 0.00 H new ATOM 0 HG SER A 34 0.922 -2.714 11.539 1.00 0.00 H new ATOM 516 N ARG A 35 -2.060 -4.126 8.398 1.00 0.00 N ATOM 517 CA ARG A 35 -3.102 -5.137 8.533 1.00 0.00 C ATOM 518 C ARG A 35 -3.079 -6.086 7.345 1.00 0.00 C ATOM 519 O ARG A 35 -3.476 -7.245 7.449 1.00 0.00 O ATOM 520 CB ARG A 35 -4.474 -4.478 8.618 1.00 0.00 C ATOM 521 CG ARG A 35 -4.687 -3.720 9.904 1.00 0.00 C ATOM 522 CD ARG A 35 -5.747 -2.641 9.753 1.00 0.00 C ATOM 523 NE ARG A 35 -7.091 -3.190 9.546 1.00 0.00 N ATOM 524 CZ ARG A 35 -8.113 -2.974 10.378 1.00 0.00 C ATOM 525 NH1 ARG A 35 -7.939 -2.246 11.476 1.00 0.00 N ATOM 526 NH2 ARG A 35 -9.315 -3.475 10.114 1.00 0.00 N ATOM 0 H ARG A 35 -2.404 -3.203 8.133 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.912 -5.698 9.448 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.596 -3.796 7.777 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.245 -5.243 8.522 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.984 -4.414 10.690 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.747 -3.265 10.218 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.749 -2.013 10.644 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.488 -1.999 8.911 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.254 -3.768 8.722 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.023 -1.850 11.686 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.722 -2.083 12.109 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.462 -4.029 9.271 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.090 -3.305 10.755 1.00 0.00 H new ATOM 540 N ALA A 36 -2.605 -5.579 6.216 1.00 0.00 N ATOM 541 CA ALA A 36 -2.605 -6.332 4.974 1.00 0.00 C ATOM 542 C ALA A 36 -1.389 -7.255 4.880 1.00 0.00 C ATOM 543 O ALA A 36 -1.347 -8.159 4.046 1.00 0.00 O ATOM 544 CB ALA A 36 -2.651 -5.372 3.791 1.00 0.00 C ATOM 0 H ALA A 36 -2.213 -4.641 6.137 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.493 -6.964 4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.651 -5.940 2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.557 -4.768 3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.778 -4.720 3.818 1.00 0.00 H new ATOM 550 N GLY A 37 -0.399 -7.023 5.739 1.00 0.00 N ATOM 551 CA GLY A 37 0.799 -7.850 5.732 1.00 0.00 C ATOM 552 C GLY A 37 1.996 -7.118 5.174 1.00 0.00 C ATOM 553 O GLY A 37 3.125 -7.601 5.255 1.00 0.00 O ATOM 0 H GLY A 37 -0.404 -6.280 6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.018 -8.178 6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.616 -8.747 5.140 1.00 0.00 H new ATOM 557 N ILE A 38 1.742 -5.945 4.618 1.00 0.00 N ATOM 558 CA ILE A 38 2.775 -5.145 3.987 1.00 0.00 C ATOM 559 C ILE A 38 3.699 -4.505 5.021 1.00 0.00 C ATOM 560 O ILE A 38 3.257 -3.725 5.865 1.00 0.00 O ATOM 561 CB ILE A 38 2.143 -4.031 3.139 1.00 0.00 C ATOM 562 CG1 ILE A 38 0.961 -4.584 2.346 1.00 0.00 C ATOM 563 CG2 ILE A 38 3.179 -3.436 2.202 1.00 0.00 C ATOM 564 CD1 ILE A 38 0.008 -3.519 1.869 1.00 0.00 C ATOM 0 H ILE A 38 0.814 -5.522 4.592 1.00 0.00 H new ATOM 0 HA ILE A 38 3.360 -5.814 3.355 1.00 0.00 H new ATOM 0 HB ILE A 38 1.781 -3.244 3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.338 -5.136 1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.417 -5.295 2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.720 -2.647 1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.000 -3.019 2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.562 -4.214 1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.807 -3.983 1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.397 -2.982 2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.538 -2.821 1.221 1.00 0.00 H new ATOM 576 N SER A 39 4.975 -4.846 4.953 1.00 0.00 N ATOM 577 CA SER A 39 5.974 -4.218 5.801 1.00 0.00 C ATOM 578 C SER A 39 6.655 -3.070 5.050 1.00 0.00 C ATOM 579 O SER A 39 6.366 -2.837 3.871 1.00 0.00 O ATOM 580 CB SER A 39 6.998 -5.255 6.267 1.00 0.00 C ATOM 581 OG SER A 39 7.967 -4.678 7.127 1.00 0.00 O ATOM 0 H SER A 39 5.344 -5.555 4.319 1.00 0.00 H new ATOM 0 HA SER A 39 5.485 -3.805 6.683 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.486 -6.066 6.786 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.494 -5.693 5.401 1.00 0.00 H new ATOM 0 HG SER A 39 8.606 -5.366 7.409 1.00 0.00 H new ATOM 587 N GLU A 40 7.557 -2.365 5.731 1.00 0.00 N ATOM 588 CA GLU A 40 8.254 -1.218 5.151 1.00 0.00 C ATOM 589 C GLU A 40 8.853 -1.551 3.791 1.00 0.00 C ATOM 590 O GLU A 40 8.605 -0.865 2.802 1.00 0.00 O ATOM 591 CB GLU A 40 9.397 -0.767 6.051 1.00 0.00 C ATOM 592 CG GLU A 40 9.004 -0.261 7.421 1.00 0.00 C ATOM 593 CD GLU A 40 10.186 0.393 8.108 1.00 0.00 C ATOM 594 OE1 GLU A 40 11.320 0.258 7.590 1.00 0.00 O ATOM 595 OE2 GLU A 40 9.990 1.063 9.142 1.00 0.00 O ATOM 0 H GLU A 40 7.824 -2.571 6.694 1.00 0.00 H new ATOM 0 HA GLU A 40 7.510 -0.429 5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.084 -1.603 6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.947 0.022 5.538 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.188 0.456 7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.636 -1.088 8.028 1.00 0.00 H new ATOM 602 N ALA A 41 9.654 -2.615 3.766 1.00 0.00 N ATOM 603 CA ALA A 41 10.418 -3.003 2.581 1.00 0.00 C ATOM 604 C ALA A 41 9.520 -3.220 1.372 1.00 0.00 C ATOM 605 O ALA A 41 9.931 -3.023 0.229 1.00 0.00 O ATOM 606 CB ALA A 41 11.213 -4.265 2.873 1.00 0.00 C ATOM 0 H ALA A 41 9.792 -3.232 4.566 1.00 0.00 H new ATOM 0 HA ALA A 41 11.099 -2.186 2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.781 -4.550 1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.899 -4.080 3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.530 -5.071 3.142 1.00 0.00 H new ATOM 612 N GLN A 42 8.283 -3.588 1.640 1.00 0.00 N ATOM 613 CA GLN A 42 7.349 -3.933 0.581 1.00 0.00 C ATOM 614 C GLN A 42 6.704 -2.678 0.019 1.00 0.00 C ATOM 615 O GLN A 42 6.367 -2.609 -1.158 1.00 0.00 O ATOM 616 CB GLN A 42 6.287 -4.898 1.098 1.00 0.00 C ATOM 617 CG GLN A 42 6.862 -6.219 1.566 1.00 0.00 C ATOM 618 CD GLN A 42 5.809 -7.152 2.119 1.00 0.00 C ATOM 619 OE1 GLN A 42 5.505 -7.123 3.310 1.00 0.00 O ATOM 620 NE2 GLN A 42 5.259 -7.993 1.259 1.00 0.00 N ATOM 0 H GLN A 42 7.899 -3.657 2.582 1.00 0.00 H new ATOM 0 HA GLN A 42 7.898 -4.428 -0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.750 -4.430 1.923 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.559 -5.085 0.309 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.370 -6.705 0.733 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.614 -6.032 2.333 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.544 -7.980 0.280 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.550 -8.655 1.575 1.00 0.00 H new ATOM 629 N LEU A 43 6.557 -1.672 0.867 1.00 0.00 N ATOM 630 CA LEU A 43 6.045 -0.388 0.427 1.00 0.00 C ATOM 631 C LEU A 43 7.103 0.345 -0.383 1.00 0.00 C ATOM 632 O LEU A 43 6.793 1.269 -1.129 1.00 0.00 O ATOM 633 CB LEU A 43 5.611 0.462 1.620 1.00 0.00 C ATOM 634 CG LEU A 43 4.408 -0.082 2.391 1.00 0.00 C ATOM 635 CD1 LEU A 43 4.155 0.741 3.640 1.00 0.00 C ATOM 636 CD2 LEU A 43 3.174 -0.088 1.506 1.00 0.00 C ATOM 0 H LEU A 43 6.785 -1.721 1.860 1.00 0.00 H new ATOM 0 HA LEU A 43 5.172 -0.563 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.452 0.556 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.375 1.466 1.266 1.00 0.00 H new ATOM 0 HG LEU A 43 4.628 -1.106 2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.295 0.337 4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.033 0.703 4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.955 1.775 3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.325 -0.478 2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.956 0.929 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.354 -0.719 0.636 1.00 0.00 H new ATOM 648 N THR A 44 8.352 -0.080 -0.224 1.00 0.00 N ATOM 649 CA THR A 44 9.457 0.475 -0.991 1.00 0.00 C ATOM 650 C THR A 44 9.893 -0.489 -2.096 1.00 0.00 C ATOM 651 O THR A 44 10.962 -0.332 -2.690 1.00 0.00 O ATOM 652 CB THR A 44 10.661 0.798 -0.084 1.00 0.00 C ATOM 653 OG1 THR A 44 11.042 -0.369 0.664 1.00 0.00 O ATOM 654 CG2 THR A 44 10.328 1.938 0.870 1.00 0.00 C ATOM 0 H THR A 44 8.623 -0.811 0.433 1.00 0.00 H new ATOM 0 HA THR A 44 9.103 1.401 -1.445 1.00 0.00 H new ATOM 0 HB THR A 44 11.493 1.107 -0.716 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.537 -0.097 1.465 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.192 2.149 1.500 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.071 2.829 0.297 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.483 1.653 1.496 1.00 0.00 H new ATOM 662 N ASP A 45 9.075 -1.512 -2.333 1.00 0.00 N ATOM 663 CA ASP A 45 9.315 -2.456 -3.420 1.00 0.00 C ATOM 664 C ASP A 45 8.596 -2.005 -4.690 1.00 0.00 C ATOM 665 O ASP A 45 7.493 -1.470 -4.611 1.00 0.00 O ATOM 666 CB ASP A 45 8.840 -3.860 -3.043 1.00 0.00 C ATOM 667 CG ASP A 45 9.097 -4.855 -4.152 1.00 0.00 C ATOM 668 OD1 ASP A 45 10.217 -5.404 -4.205 1.00 0.00 O ATOM 669 OD2 ASP A 45 8.172 -5.112 -4.950 1.00 0.00 O ATOM 0 H ASP A 45 8.238 -1.708 -1.784 1.00 0.00 H new ATOM 0 HA ASP A 45 10.389 -2.483 -3.602 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.351 -4.186 -2.137 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.774 -3.835 -2.817 1.00 0.00 H new ATOM 674 N ALA A 46 9.204 -2.234 -5.847 1.00 0.00 N ATOM 675 CA ALA A 46 8.682 -1.700 -7.105 1.00 0.00 C ATOM 676 C ALA A 46 7.263 -2.184 -7.415 1.00 0.00 C ATOM 677 O ALA A 46 6.309 -1.395 -7.364 1.00 0.00 O ATOM 678 CB ALA A 46 9.614 -2.043 -8.254 1.00 0.00 C ATOM 0 H ALA A 46 10.057 -2.784 -5.944 1.00 0.00 H new ATOM 0 HA ALA A 46 8.630 -0.618 -6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.211 -1.638 -9.183 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.597 -1.611 -8.066 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.704 -3.126 -8.339 1.00 0.00 H new ATOM 684 N GLU A 47 7.112 -3.473 -7.729 1.00 0.00 N ATOM 685 CA GLU A 47 5.817 -3.990 -8.159 1.00 0.00 C ATOM 686 C GLU A 47 4.852 -4.034 -6.985 1.00 0.00 C ATOM 687 O GLU A 47 3.661 -3.767 -7.139 1.00 0.00 O ATOM 688 CB GLU A 47 5.946 -5.377 -8.815 1.00 0.00 C ATOM 689 CG GLU A 47 5.820 -6.564 -7.863 1.00 0.00 C ATOM 690 CD GLU A 47 5.970 -7.891 -8.577 1.00 0.00 C ATOM 691 OE1 GLU A 47 7.120 -8.303 -8.847 1.00 0.00 O ATOM 692 OE2 GLU A 47 4.940 -8.539 -8.862 1.00 0.00 O ATOM 0 H GLU A 47 7.860 -4.166 -7.694 1.00 0.00 H new ATOM 0 HA GLU A 47 5.420 -3.312 -8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.181 -5.468 -9.586 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.912 -5.435 -9.316 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.579 -6.485 -7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.850 -6.528 -7.367 1.00 0.00 H new ATOM 699 N THR A 48 5.382 -4.334 -5.808 1.00 0.00 N ATOM 700 CA THR A 48 4.569 -4.423 -4.614 1.00 0.00 C ATOM 701 C THR A 48 3.887 -3.089 -4.318 1.00 0.00 C ATOM 702 O THR A 48 2.668 -3.030 -4.151 1.00 0.00 O ATOM 703 CB THR A 48 5.414 -4.864 -3.402 1.00 0.00 C ATOM 704 OG1 THR A 48 6.074 -6.103 -3.704 1.00 0.00 O ATOM 705 CG2 THR A 48 4.545 -5.029 -2.162 1.00 0.00 C ATOM 0 H THR A 48 6.374 -4.519 -5.659 1.00 0.00 H new ATOM 0 HA THR A 48 3.801 -5.175 -4.793 1.00 0.00 H new ATOM 0 HB THR A 48 6.156 -4.092 -3.197 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.765 -5.949 -4.382 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.165 -5.340 -1.322 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.064 -4.080 -1.926 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.783 -5.785 -2.350 1.00 0.00 H new ATOM 713 N SER A 49 4.666 -2.019 -4.306 1.00 0.00 N ATOM 714 CA SER A 49 4.150 -0.713 -3.939 1.00 0.00 C ATOM 715 C SER A 49 3.169 -0.192 -4.983 1.00 0.00 C ATOM 716 O SER A 49 2.096 0.309 -4.642 1.00 0.00 O ATOM 717 CB SER A 49 5.299 0.275 -3.766 1.00 0.00 C ATOM 718 OG SER A 49 4.854 1.481 -3.183 1.00 0.00 O ATOM 0 H SER A 49 5.657 -2.031 -4.546 1.00 0.00 H new ATOM 0 HA SER A 49 3.617 -0.816 -2.994 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.073 -0.170 -3.141 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.752 0.483 -4.735 1.00 0.00 H new ATOM 0 HG SER A 49 4.166 1.286 -2.513 1.00 0.00 H new ATOM 724 N LYS A 50 3.526 -0.326 -6.256 1.00 0.00 N ATOM 725 CA LYS A 50 2.694 0.202 -7.327 1.00 0.00 C ATOM 726 C LYS A 50 1.372 -0.549 -7.415 1.00 0.00 C ATOM 727 O LYS A 50 0.345 0.032 -7.767 1.00 0.00 O ATOM 728 CB LYS A 50 3.431 0.164 -8.671 1.00 0.00 C ATOM 729 CG LYS A 50 2.645 0.808 -9.804 1.00 0.00 C ATOM 730 CD LYS A 50 3.528 1.109 -11.002 1.00 0.00 C ATOM 731 CE LYS A 50 2.736 1.755 -12.124 1.00 0.00 C ATOM 732 NZ LYS A 50 3.614 2.201 -13.235 1.00 0.00 N ATOM 0 H LYS A 50 4.378 -0.792 -6.568 1.00 0.00 H new ATOM 0 HA LYS A 50 2.476 1.244 -7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.389 0.673 -8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.647 -0.872 -8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.835 0.145 -10.107 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.186 1.731 -9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.340 1.770 -10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.984 0.186 -11.361 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.001 1.046 -12.504 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.183 2.609 -11.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.035 2.637 -13.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.300 2.897 -12.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.123 1.382 -13.625 1.00 0.00 H new ATOM 746 N LEU A 51 1.386 -1.832 -7.077 1.00 0.00 N ATOM 747 CA LEU A 51 0.164 -2.619 -7.084 1.00 0.00 C ATOM 748 C LEU A 51 -0.704 -2.296 -5.867 1.00 0.00 C ATOM 749 O LEU A 51 -1.926 -2.412 -5.930 1.00 0.00 O ATOM 750 CB LEU A 51 0.479 -4.115 -7.153 1.00 0.00 C ATOM 751 CG LEU A 51 0.978 -4.599 -8.519 1.00 0.00 C ATOM 752 CD1 LEU A 51 1.372 -6.062 -8.458 1.00 0.00 C ATOM 753 CD2 LEU A 51 -0.087 -4.390 -9.581 1.00 0.00 C ATOM 0 H LEU A 51 2.223 -2.344 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.402 -2.353 -7.977 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.233 -4.349 -6.401 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.419 -4.675 -6.889 1.00 0.00 H new ATOM 0 HG LEU A 51 1.857 -4.013 -8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.723 -6.385 -9.438 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.168 -6.194 -7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.508 -6.660 -8.167 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.286 -4.740 -10.544 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.983 -4.951 -9.313 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.330 -3.330 -9.649 1.00 0.00 H new ATOM 765 N ILE A 52 -0.079 -1.893 -4.762 1.00 0.00 N ATOM 766 CA ILE A 52 -0.821 -1.374 -3.620 1.00 0.00 C ATOM 767 C ILE A 52 -1.435 -0.021 -3.958 1.00 0.00 C ATOM 768 O ILE A 52 -2.594 0.248 -3.650 1.00 0.00 O ATOM 769 CB ILE A 52 0.077 -1.203 -2.385 1.00 0.00 C ATOM 770 CG1 ILE A 52 0.660 -2.542 -1.954 1.00 0.00 C ATOM 771 CG2 ILE A 52 -0.706 -0.565 -1.247 1.00 0.00 C ATOM 772 CD1 ILE A 52 1.599 -2.426 -0.781 1.00 0.00 C ATOM 0 H ILE A 52 0.933 -1.916 -4.636 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.601 -2.100 -3.392 1.00 0.00 H new ATOM 0 HB ILE A 52 0.904 -0.543 -2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.154 -3.220 -1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.191 -2.988 -2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.057 -0.450 -0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.070 0.413 -1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.552 -1.201 -0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.981 -3.413 -0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.431 -1.773 -1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.065 -2.008 0.072 1.00 0.00 H new ATOM 784 N TYR A 53 -0.643 0.828 -4.588 1.00 0.00 N ATOM 785 CA TYR A 53 -1.105 2.139 -5.011 1.00 0.00 C ATOM 786 C TYR A 53 -2.253 1.995 -6.009 1.00 0.00 C ATOM 787 O TYR A 53 -3.252 2.712 -5.937 1.00 0.00 O ATOM 788 CB TYR A 53 0.066 2.910 -5.620 1.00 0.00 C ATOM 789 CG TYR A 53 -0.270 4.304 -6.088 1.00 0.00 C ATOM 790 CD1 TYR A 53 -0.747 5.247 -5.190 1.00 0.00 C ATOM 791 CD2 TYR A 53 -0.135 4.671 -7.424 1.00 0.00 C ATOM 792 CE1 TYR A 53 -1.076 6.519 -5.603 1.00 0.00 C ATOM 793 CE2 TYR A 53 -0.467 5.944 -7.844 1.00 0.00 C ATOM 794 CZ TYR A 53 -0.841 6.873 -6.968 1.00 0.00 C ATOM 795 OH TYR A 53 -1.265 8.138 -7.336 1.00 0.00 O ATOM 0 H TYR A 53 0.331 0.631 -4.820 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.481 2.695 -4.152 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.865 2.973 -4.881 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.456 2.342 -6.465 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.862 4.980 -4.150 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.234 3.952 -8.140 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.501 7.232 -4.912 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.423 6.188 -8.895 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.944 8.452 -6.703 1.00 0.00 H new ATOM 805 N ASP A 54 -2.105 1.036 -6.918 1.00 0.00 N ATOM 806 CA ASP A 54 -3.140 0.720 -7.898 1.00 0.00 C ATOM 807 C ASP A 54 -4.351 0.108 -7.197 1.00 0.00 C ATOM 808 O ASP A 54 -5.485 0.248 -7.641 1.00 0.00 O ATOM 809 CB ASP A 54 -2.583 -0.261 -8.936 1.00 0.00 C ATOM 810 CG ASP A 54 -3.377 -0.276 -10.226 1.00 0.00 C ATOM 811 OD1 ASP A 54 -3.184 0.623 -11.065 1.00 0.00 O ATOM 812 OD2 ASP A 54 -4.221 -1.182 -10.392 1.00 0.00 O ATOM 0 H ASP A 54 -1.268 0.458 -6.996 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.450 1.636 -8.401 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.548 0.001 -9.156 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.574 -1.264 -8.510 1.00 0.00 H new ATOM 817 N PHE A 55 -4.079 -0.564 -6.086 1.00 0.00 N ATOM 818 CA PHE A 55 -5.110 -1.173 -5.247 1.00 0.00 C ATOM 819 C PHE A 55 -6.022 -0.109 -4.657 1.00 0.00 C ATOM 820 O PHE A 55 -7.243 -0.239 -4.680 1.00 0.00 O ATOM 821 CB PHE A 55 -4.440 -1.980 -4.124 1.00 0.00 C ATOM 822 CG PHE A 55 -5.333 -2.312 -2.959 1.00 0.00 C ATOM 823 CD1 PHE A 55 -6.134 -3.453 -2.972 1.00 0.00 C ATOM 824 CD2 PHE A 55 -5.381 -1.481 -1.858 1.00 0.00 C ATOM 825 CE1 PHE A 55 -6.958 -3.745 -1.905 1.00 0.00 C ATOM 826 CE2 PHE A 55 -6.202 -1.771 -0.789 1.00 0.00 C ATOM 827 CZ PHE A 55 -6.969 -2.951 -0.807 1.00 0.00 C ATOM 0 H PHE A 55 -3.131 -0.704 -5.737 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.719 -1.838 -5.860 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.056 -2.909 -4.544 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.582 -1.418 -3.756 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.109 -4.114 -3.825 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.768 -0.592 -1.834 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.599 -4.613 -1.945 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.256 -1.099 0.055 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.565 -3.223 0.052 1.00 0.00 H new ATOM 837 N ILE A 56 -5.417 0.934 -4.117 1.00 0.00 N ATOM 838 CA ILE A 56 -6.165 2.025 -3.521 1.00 0.00 C ATOM 839 C ILE A 56 -7.024 2.708 -4.581 1.00 0.00 C ATOM 840 O ILE A 56 -8.153 3.127 -4.321 1.00 0.00 O ATOM 841 CB ILE A 56 -5.208 3.036 -2.865 1.00 0.00 C ATOM 842 CG1 ILE A 56 -4.300 2.300 -1.880 1.00 0.00 C ATOM 843 CG2 ILE A 56 -5.985 4.134 -2.156 1.00 0.00 C ATOM 844 CD1 ILE A 56 -3.248 3.174 -1.248 1.00 0.00 C ATOM 0 H ILE A 56 -4.404 1.048 -4.079 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.819 1.623 -2.747 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.600 3.506 -3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.914 1.861 -1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.810 1.476 -2.399 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.288 4.837 -1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.611 4.660 -2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.614 3.693 -1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.645 2.579 -0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.608 3.593 -2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.729 3.983 -0.699 1.00 0.00 H new ATOM 856 N GLU A 57 -6.481 2.783 -5.786 1.00 0.00 N ATOM 857 CA GLU A 57 -7.203 3.306 -6.934 1.00 0.00 C ATOM 858 C GLU A 57 -8.336 2.365 -7.343 1.00 0.00 C ATOM 859 O GLU A 57 -9.464 2.801 -7.571 1.00 0.00 O ATOM 860 CB GLU A 57 -6.237 3.508 -8.097 1.00 0.00 C ATOM 861 CG GLU A 57 -5.422 4.783 -7.978 1.00 0.00 C ATOM 862 CD GLU A 57 -4.627 5.090 -9.228 1.00 0.00 C ATOM 863 OE1 GLU A 57 -5.250 5.387 -10.268 1.00 0.00 O ATOM 864 OE2 GLU A 57 -3.383 5.069 -9.170 1.00 0.00 O ATOM 0 H GLU A 57 -5.529 2.483 -5.995 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.645 4.264 -6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.561 2.655 -8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.800 3.529 -9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.090 5.617 -7.764 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.740 4.695 -7.132 1.00 0.00 H new ATOM 871 N ASP A 58 -8.009 1.081 -7.433 1.00 0.00 N ATOM 872 CA ASP A 58 -8.977 0.019 -7.737 1.00 0.00 C ATOM 873 C ASP A 58 -10.189 0.070 -6.802 1.00 0.00 C ATOM 874 O ASP A 58 -11.319 -0.185 -7.218 1.00 0.00 O ATOM 875 CB ASP A 58 -8.283 -1.349 -7.628 1.00 0.00 C ATOM 876 CG ASP A 58 -9.232 -2.525 -7.767 1.00 0.00 C ATOM 877 OD1 ASP A 58 -9.620 -2.852 -8.912 1.00 0.00 O ATOM 878 OD2 ASP A 58 -9.607 -3.123 -6.735 1.00 0.00 O ATOM 0 H ASP A 58 -7.058 0.739 -7.297 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.342 0.171 -8.753 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.515 -1.420 -8.398 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.776 -1.414 -6.665 1.00 0.00 H new ATOM 883 N GLN A 59 -9.946 0.418 -5.544 1.00 0.00 N ATOM 884 CA GLN A 59 -11.013 0.508 -4.546 1.00 0.00 C ATOM 885 C GLN A 59 -11.860 1.767 -4.739 1.00 0.00 C ATOM 886 O GLN A 59 -12.933 1.893 -4.150 1.00 0.00 O ATOM 887 CB GLN A 59 -10.420 0.481 -3.133 1.00 0.00 C ATOM 888 CG GLN A 59 -10.269 -0.916 -2.533 1.00 0.00 C ATOM 889 CD GLN A 59 -10.183 -2.023 -3.570 1.00 0.00 C ATOM 890 OE1 GLN A 59 -11.184 -2.643 -3.926 1.00 0.00 O ATOM 891 NE2 GLN A 59 -8.989 -2.264 -4.079 1.00 0.00 N ATOM 0 H GLN A 59 -9.018 0.644 -5.187 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.665 -0.355 -4.678 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.441 0.960 -3.155 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.053 1.078 -2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.372 -0.940 -1.914 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.116 -1.112 -1.875 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.181 -1.730 -3.759 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -8.874 -2.984 -4.792 1.00 0.00 H new ATOM 900 N GLY A 60 -11.387 2.684 -5.575 1.00 0.00 N ATOM 901 CA GLY A 60 -12.141 3.893 -5.851 1.00 0.00 C ATOM 902 C GLY A 60 -11.399 5.161 -5.471 1.00 0.00 C ATOM 903 O GLY A 60 -11.846 6.265 -5.779 1.00 0.00 O ATOM 0 H GLY A 60 -10.496 2.612 -6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.385 3.927 -6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.086 3.856 -5.308 1.00 0.00 H new ATOM 907 N GLY A 61 -10.265 5.014 -4.805 1.00 0.00 N ATOM 908 CA GLY A 61 -9.480 6.170 -4.430 1.00 0.00 C ATOM 909 C GLY A 61 -9.072 6.142 -2.973 1.00 0.00 C ATOM 910 O GLY A 61 -9.287 5.145 -2.285 1.00 0.00 O ATOM 0 H GLY A 61 -9.875 4.117 -4.518 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.587 6.217 -5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.055 7.075 -4.626 1.00 0.00 H new ATOM 914 N LEU A 62 -8.506 7.247 -2.490 1.00 0.00 N ATOM 915 CA LEU A 62 -7.967 7.292 -1.135 1.00 0.00 C ATOM 916 C LEU A 62 -9.062 7.118 -0.091 1.00 0.00 C ATOM 917 O LEU A 62 -8.931 6.301 0.819 1.00 0.00 O ATOM 918 CB LEU A 62 -7.215 8.600 -0.898 1.00 0.00 C ATOM 919 CG LEU A 62 -5.962 8.785 -1.756 1.00 0.00 C ATOM 920 CD1 LEU A 62 -5.292 10.113 -1.440 1.00 0.00 C ATOM 921 CD2 LEU A 62 -4.995 7.628 -1.541 1.00 0.00 C ATOM 0 H LEU A 62 -8.410 8.117 -3.014 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.270 6.460 -1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.893 9.432 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.930 8.653 0.153 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.258 8.793 -2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.402 10.228 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.985 10.928 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.007 10.136 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.109 7.775 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.703 7.588 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.480 6.692 -1.819 1.00 0.00 H new ATOM 933 N GLU A 63 -10.150 7.868 -0.237 1.00 0.00 N ATOM 934 CA GLU A 63 -11.241 7.818 0.732 1.00 0.00 C ATOM 935 C GLU A 63 -11.836 6.421 0.824 1.00 0.00 C ATOM 936 O GLU A 63 -12.261 6.006 1.890 1.00 0.00 O ATOM 937 CB GLU A 63 -12.345 8.818 0.378 1.00 0.00 C ATOM 938 CG GLU A 63 -11.920 10.269 0.494 1.00 0.00 C ATOM 939 CD GLU A 63 -11.384 10.618 1.869 1.00 0.00 C ATOM 940 OE1 GLU A 63 -12.191 10.856 2.788 1.00 0.00 O ATOM 941 OE2 GLU A 63 -10.145 10.665 2.031 1.00 0.00 O ATOM 0 H GLU A 63 -10.300 8.514 -1.012 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.818 8.086 1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.680 8.628 -0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.200 8.647 1.032 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.155 10.479 -0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.771 10.911 0.268 1.00 0.00 H new ATOM 948 N ALA A 64 -11.829 5.692 -0.285 1.00 0.00 N ATOM 949 CA ALA A 64 -12.464 4.380 -0.346 1.00 0.00 C ATOM 950 C ALA A 64 -11.833 3.410 0.649 1.00 0.00 C ATOM 951 O ALA A 64 -12.532 2.667 1.339 1.00 0.00 O ATOM 952 CB ALA A 64 -12.377 3.825 -1.755 1.00 0.00 C ATOM 0 H ALA A 64 -11.390 5.987 -1.157 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.513 4.498 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.854 2.845 -1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.884 4.500 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.330 3.730 -2.045 1.00 0.00 H new ATOM 958 N VAL A 65 -10.508 3.441 0.734 1.00 0.00 N ATOM 959 CA VAL A 65 -9.781 2.581 1.661 1.00 0.00 C ATOM 960 C VAL A 65 -10.024 3.045 3.090 1.00 0.00 C ATOM 961 O VAL A 65 -10.257 2.242 3.994 1.00 0.00 O ATOM 962 CB VAL A 65 -8.268 2.592 1.355 1.00 0.00 C ATOM 963 CG1 VAL A 65 -7.500 1.715 2.332 1.00 0.00 C ATOM 964 CG2 VAL A 65 -8.019 2.144 -0.076 1.00 0.00 C ATOM 0 H VAL A 65 -9.915 4.052 0.172 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.145 1.561 1.542 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.906 3.613 1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.438 1.744 2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.651 2.083 3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.860 0.689 2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.948 2.156 -0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.403 1.133 -0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.527 2.821 -0.763 1.00 0.00 H new ATOM 974 N ARG A 66 -10.016 4.359 3.265 1.00 0.00 N ATOM 975 CA ARG A 66 -10.229 4.969 4.570 1.00 0.00 C ATOM 976 C ARG A 66 -11.671 4.753 5.034 1.00 0.00 C ATOM 977 O ARG A 66 -11.974 4.825 6.225 1.00 0.00 O ATOM 978 CB ARG A 66 -9.907 6.461 4.497 1.00 0.00 C ATOM 979 CG ARG A 66 -8.537 6.743 3.906 1.00 0.00 C ATOM 980 CD ARG A 66 -8.265 8.231 3.797 1.00 0.00 C ATOM 981 NE ARG A 66 -8.055 8.844 5.104 1.00 0.00 N ATOM 982 CZ ARG A 66 -8.551 10.025 5.458 1.00 0.00 C ATOM 983 NH1 ARG A 66 -9.330 10.704 4.623 1.00 0.00 N ATOM 984 NH2 ARG A 66 -8.276 10.528 6.654 1.00 0.00 N ATOM 0 H ARG A 66 -9.863 5.029 2.511 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.566 4.498 5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.666 6.962 3.896 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.960 6.888 5.498 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.771 6.278 4.527 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.467 6.288 2.918 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.386 8.394 3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.103 8.718 3.299 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.494 8.336 5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.550 10.319 3.704 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.708 11.610 4.901 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.684 10.008 7.302 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.657 11.434 6.926 1.00 0.00 H new ATOM 998 N GLN A 67 -12.558 4.501 4.077 1.00 0.00 N ATOM 999 CA GLN A 67 -13.940 4.159 4.378 1.00 0.00 C ATOM 1000 C GLN A 67 -14.027 2.744 4.918 1.00 0.00 C ATOM 1001 O GLN A 67 -14.715 2.495 5.898 1.00 0.00 O ATOM 1002 CB GLN A 67 -14.825 4.281 3.141 1.00 0.00 C ATOM 1003 CG GLN A 67 -15.079 5.709 2.690 1.00 0.00 C ATOM 1004 CD GLN A 67 -15.879 5.770 1.404 1.00 0.00 C ATOM 1005 OE1 GLN A 67 -15.794 4.872 0.563 1.00 0.00 O ATOM 1006 NE2 GLN A 67 -16.664 6.822 1.243 1.00 0.00 N ATOM 0 H GLN A 67 -12.341 4.528 3.081 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.296 4.862 5.131 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -14.362 3.731 2.322 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -15.782 3.802 3.345 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.613 6.246 3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -14.126 6.218 2.547 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.705 7.543 1.964 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.228 6.913 0.398 1.00 0.00 H new ATOM 1015 N GLU A 68 -13.310 1.817 4.287 1.00 0.00 N ATOM 1016 CA GLU A 68 -13.346 0.415 4.694 1.00 0.00 C ATOM 1017 C GLU A 68 -12.796 0.226 6.098 1.00 0.00 C ATOM 1018 O GLU A 68 -13.111 -0.756 6.770 1.00 0.00 O ATOM 1019 CB GLU A 68 -12.597 -0.465 3.700 1.00 0.00 C ATOM 1020 CG GLU A 68 -13.229 -0.441 2.327 1.00 0.00 C ATOM 1021 CD GLU A 68 -12.863 -1.640 1.489 1.00 0.00 C ATOM 1022 OE1 GLU A 68 -13.153 -2.774 1.919 1.00 0.00 O ATOM 1023 OE2 GLU A 68 -12.319 -1.457 0.381 1.00 0.00 O ATOM 0 H GLU A 68 -12.699 2.011 3.494 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.392 0.107 4.702 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.562 -0.129 3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.574 -1.490 4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.313 -0.396 2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.921 0.466 1.807 1.00 0.00 H new ATOM 1030 N MET A 69 -11.992 1.182 6.538 1.00 0.00 N ATOM 1031 CA MET A 69 -11.538 1.230 7.922 1.00 0.00 C ATOM 1032 C MET A 69 -12.727 1.275 8.883 1.00 0.00 C ATOM 1033 O MET A 69 -12.637 0.837 10.029 1.00 0.00 O ATOM 1034 CB MET A 69 -10.666 2.462 8.143 1.00 0.00 C ATOM 1035 CG MET A 69 -9.219 2.264 7.751 1.00 0.00 C ATOM 1036 SD MET A 69 -8.358 1.173 8.895 1.00 0.00 S ATOM 1037 CE MET A 69 -6.709 1.238 8.218 1.00 0.00 C ATOM 0 H MET A 69 -11.638 1.940 5.954 1.00 0.00 H new ATOM 0 HA MET A 69 -10.958 0.329 8.120 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.077 3.294 7.571 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.712 2.745 9.195 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.169 1.848 6.745 1.00 0.00 H new ATOM 0 HG3 MET A 69 -8.715 3.230 7.722 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.011 0.777 8.916 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.683 0.700 7.270 1.00 0.00 H new ATOM 0 HE3 MET A 69 -6.424 2.277 8.053 1.00 0.00 H new ATOM 1047 N ARG A 70 -13.833 1.819 8.399 1.00 0.00 N ATOM 1048 CA ARG A 70 -15.044 1.960 9.191 1.00 0.00 C ATOM 1049 C ARG A 70 -16.173 1.125 8.593 1.00 0.00 C ATOM 1050 O ARG A 70 -17.218 0.928 9.213 1.00 0.00 O ATOM 1051 CB ARG A 70 -15.434 3.432 9.236 1.00 0.00 C ATOM 1052 CG ARG A 70 -14.385 4.303 9.907 1.00 0.00 C ATOM 1053 CD ARG A 70 -14.265 5.662 9.243 1.00 0.00 C ATOM 1054 NE ARG A 70 -15.520 6.406 9.255 1.00 0.00 N ATOM 1055 CZ ARG A 70 -15.635 7.677 8.889 1.00 0.00 C ATOM 1056 NH1 ARG A 70 -14.572 8.357 8.459 1.00 0.00 N ATOM 1057 NH2 ARG A 70 -16.820 8.264 8.946 1.00 0.00 N ATOM 0 H ARG A 70 -13.916 2.175 7.447 1.00 0.00 H new ATOM 0 HA ARG A 70 -14.862 1.600 10.204 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.600 3.790 8.220 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -16.379 3.536 9.768 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -14.642 4.435 10.958 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.420 3.798 9.875 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.497 6.244 9.752 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -13.935 5.531 8.213 1.00 0.00 H new ATOM 0 HE ARG A 70 -16.362 5.919 9.564 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.661 7.901 8.409 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.670 9.333 8.180 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -17.634 7.740 9.269 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.920 9.240 8.667 1.00 0.00 H new ATOM 1071 N ARG A 71 -15.941 0.650 7.374 1.00 0.00 N ATOM 1072 CA ARG A 71 -16.885 -0.199 6.661 1.00 0.00 C ATOM 1073 C ARG A 71 -16.979 -1.565 7.317 1.00 0.00 C ATOM 1074 O ARG A 71 -18.015 -1.926 7.874 1.00 0.00 O ATOM 1075 CB ARG A 71 -16.450 -0.367 5.209 1.00 0.00 C ATOM 1076 CG ARG A 71 -17.381 -1.254 4.411 1.00 0.00 C ATOM 1077 CD ARG A 71 -16.889 -1.445 2.985 1.00 0.00 C ATOM 1078 NE ARG A 71 -17.634 -2.488 2.283 1.00 0.00 N ATOM 1079 CZ ARG A 71 -17.072 -3.577 1.753 1.00 0.00 C ATOM 1080 NH1 ARG A 71 -15.759 -3.760 1.825 1.00 0.00 N ATOM 1081 NH2 ARG A 71 -17.826 -4.484 1.144 1.00 0.00 N ATOM 0 H ARG A 71 -15.087 0.845 6.851 1.00 0.00 H new ATOM 0 HA ARG A 71 -17.863 0.280 6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.397 0.613 4.736 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.445 -0.788 5.183 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -17.467 -2.225 4.900 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -18.379 -0.815 4.396 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.981 -0.505 2.441 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.830 -1.703 2.998 1.00 0.00 H new ATOM 0 HE ARG A 71 -18.644 -2.377 2.192 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -15.172 -3.066 2.288 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -15.337 -4.595 1.418 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.835 -4.349 1.081 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -17.396 -5.316 0.739 1.00 0.00 H new ATOM 1095 N GLN A 72 -15.878 -2.306 7.239 1.00 0.00 N ATOM 1096 CA GLN A 72 -15.812 -3.669 7.760 1.00 0.00 C ATOM 1097 C GLN A 72 -16.777 -4.567 6.994 1.00 0.00 C ATOM 1098 O GLN A 72 -17.927 -4.747 7.447 1.00 0.00 O ATOM 1099 CB GLN A 72 -16.112 -3.704 9.267 1.00 0.00 C ATOM 1100 CG GLN A 72 -15.035 -3.054 10.124 1.00 0.00 C ATOM 1101 CD GLN A 72 -13.741 -3.844 10.124 1.00 0.00 C ATOM 1102 OE1 GLN A 72 -12.850 -3.528 9.198 1.00 0.00 O flip ATOM 1103 NE2 GLN A 72 -13.545 -4.727 10.958 1.00 0.00 N flip ATOM 1104 OXT GLN A 72 -16.392 -5.064 5.919 1.00 0.00 O ATOM 0 H GLN A 72 -15.009 -1.981 6.815 1.00 0.00 H new ATOM 0 HA GLN A 72 -14.798 -4.042 7.619 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -17.062 -3.201 9.451 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -16.235 -4.741 9.579 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -14.842 -2.046 9.757 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -15.398 -2.957 11.147 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -14.259 -4.938 11.655 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.668 -5.248 10.953 1.00 0.00 H new TER 1113 GLN A 72 ATOM 1114 N GLY B 73 -11.874 -17.010 1.957 1.00 0.00 N ATOM 1115 CA GLY B 73 -12.376 -15.743 1.379 1.00 0.00 C ATOM 1116 C GLY B 73 -11.608 -14.554 1.898 1.00 0.00 C ATOM 1117 O GLY B 73 -10.485 -14.294 1.466 1.00 0.00 O ATOM 0 HA2 GLY B 73 -12.297 -15.782 0.293 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -13.433 -15.627 1.618 1.00 0.00 H new ATOM 1123 N HIS B 74 -12.208 -13.830 2.825 1.00 0.00 N ATOM 1124 CA HIS B 74 -11.546 -12.713 3.472 1.00 0.00 C ATOM 1125 C HIS B 74 -11.631 -12.875 4.980 1.00 0.00 C ATOM 1126 O HIS B 74 -12.660 -12.576 5.590 1.00 0.00 O ATOM 1127 CB HIS B 74 -12.169 -11.377 3.049 1.00 0.00 C ATOM 1128 CG HIS B 74 -11.999 -11.051 1.594 1.00 0.00 C ATOM 1129 ND1 HIS B 74 -12.894 -11.459 0.629 1.00 0.00 N ATOM 1130 CD2 HIS B 74 -11.041 -10.341 0.939 1.00 0.00 C ATOM 1131 CE1 HIS B 74 -12.500 -11.020 -0.550 1.00 0.00 C ATOM 1132 NE2 HIS B 74 -11.382 -10.339 -0.392 1.00 0.00 N ATOM 0 H HIS B 74 -13.161 -13.998 3.149 1.00 0.00 H new ATOM 0 HA HIS B 74 -10.501 -12.707 3.164 1.00 0.00 H new ATOM 0 HB2 HIS B 74 -13.233 -11.395 3.284 1.00 0.00 H new ATOM 0 HB3 HIS B 74 -11.725 -10.578 3.643 1.00 0.00 H new ATOM 0 HD2 HIS B 74 -10.176 -9.869 1.381 1.00 0.00 H new ATOM 0 HE1 HIS B 74 -13.008 -11.190 -1.488 1.00 0.00 H new ATOM 0 HE2 HIS B 74 -10.855 -9.884 -1.138 1.00 0.00 H new ATOM 1141 N MET B 75 -10.558 -13.389 5.574 1.00 0.00 N ATOM 1142 CA MET B 75 -10.482 -13.546 7.024 1.00 0.00 C ATOM 1143 C MET B 75 -10.581 -12.185 7.697 1.00 0.00 C ATOM 1144 O MET B 75 -11.045 -12.059 8.828 1.00 0.00 O ATOM 1145 CB MET B 75 -9.180 -14.246 7.411 1.00 0.00 C ATOM 1146 CG MET B 75 -9.104 -14.649 8.871 1.00 0.00 C ATOM 1147 SD MET B 75 -7.617 -15.596 9.239 1.00 0.00 S ATOM 1148 CE MET B 75 -7.901 -16.006 10.957 1.00 0.00 C ATOM 0 H MET B 75 -9.727 -13.705 5.073 1.00 0.00 H new ATOM 0 HA MET B 75 -11.315 -14.163 7.361 1.00 0.00 H new ATOM 0 HB2 MET B 75 -9.061 -15.136 6.793 1.00 0.00 H new ATOM 0 HB3 MET B 75 -8.343 -13.585 7.183 1.00 0.00 H new ATOM 0 HG2 MET B 75 -9.127 -13.755 9.494 1.00 0.00 H new ATOM 0 HG3 MET B 75 -9.982 -15.240 9.129 1.00 0.00 H new ATOM 0 HE1 MET B 75 -7.065 -16.595 11.334 1.00 0.00 H new ATOM 0 HE2 MET B 75 -7.991 -15.089 11.540 1.00 0.00 H new ATOM 0 HE3 MET B 75 -8.821 -16.584 11.046 1.00 0.00 H new ATOM 1158 N LEU B 76 -10.136 -11.177 6.975 1.00 0.00 N ATOM 1159 CA LEU B 76 -10.318 -9.793 7.370 1.00 0.00 C ATOM 1160 C LEU B 76 -11.334 -9.150 6.433 1.00 0.00 C ATOM 1161 O LEU B 76 -11.263 -9.336 5.221 1.00 0.00 O ATOM 1162 CB LEU B 76 -8.985 -9.044 7.333 1.00 0.00 C ATOM 1163 CG LEU B 76 -7.953 -9.520 8.359 1.00 0.00 C ATOM 1164 CD1 LEU B 76 -6.672 -8.717 8.238 1.00 0.00 C ATOM 1165 CD2 LEU B 76 -8.513 -9.417 9.771 1.00 0.00 C ATOM 0 H LEU B 76 -9.636 -11.294 6.094 1.00 0.00 H new ATOM 0 HA LEU B 76 -10.689 -9.745 8.394 1.00 0.00 H new ATOM 0 HB2 LEU B 76 -8.557 -9.142 6.335 1.00 0.00 H new ATOM 0 HB3 LEU B 76 -9.176 -7.983 7.495 1.00 0.00 H new ATOM 0 HG LEU B 76 -7.726 -10.566 8.154 1.00 0.00 H new ATOM 0 HD11 LEU B 76 -5.951 -9.070 8.975 1.00 0.00 H new ATOM 0 HD12 LEU B 76 -6.258 -8.841 7.237 1.00 0.00 H new ATOM 0 HD13 LEU B 76 -6.885 -7.663 8.415 1.00 0.00 H new ATOM 0 HD21 LEU B 76 -7.764 -9.760 10.485 1.00 0.00 H new ATOM 0 HD22 LEU B 76 -8.771 -8.380 9.985 1.00 0.00 H new ATOM 0 HD23 LEU B 76 -9.405 -10.037 9.855 1.00 0.00 H new ATOM 1177 N PRO B 77 -12.285 -8.390 6.978 1.00 0.00 N ATOM 1178 CA PRO B 77 -13.452 -7.925 6.224 1.00 0.00 C ATOM 1179 C PRO B 77 -13.174 -6.694 5.372 1.00 0.00 C ATOM 1180 O PRO B 77 -13.908 -6.389 4.433 1.00 0.00 O ATOM 1181 CB PRO B 77 -14.448 -7.600 7.334 1.00 0.00 C ATOM 1182 CG PRO B 77 -13.603 -7.156 8.480 1.00 0.00 C ATOM 1183 CD PRO B 77 -12.293 -7.896 8.367 1.00 0.00 C ATOM 0 HA PRO B 77 -13.796 -8.668 5.504 1.00 0.00 H new ATOM 0 HB2 PRO B 77 -15.142 -6.818 7.027 1.00 0.00 H new ATOM 0 HB3 PRO B 77 -15.047 -8.472 7.597 1.00 0.00 H new ATOM 0 HG2 PRO B 77 -13.442 -6.078 8.447 1.00 0.00 H new ATOM 0 HG3 PRO B 77 -14.091 -7.377 9.429 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -11.445 -7.240 8.563 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -12.234 -8.716 9.083 1.00 0.00 H new ATOM 1191 N ASP B 78 -12.093 -6.013 5.686 1.00 0.00 N ATOM 1192 CA ASP B 78 -11.795 -4.735 5.073 1.00 0.00 C ATOM 1193 C ASP B 78 -10.684 -4.844 4.035 1.00 0.00 C ATOM 1194 O ASP B 78 -10.307 -5.946 3.618 1.00 0.00 O ATOM 1195 CB ASP B 78 -11.413 -3.706 6.147 1.00 0.00 C ATOM 1196 CG ASP B 78 -10.170 -4.099 6.924 1.00 0.00 C ATOM 1197 OD1 ASP B 78 -9.053 -3.778 6.471 1.00 0.00 O ATOM 1198 OD2 ASP B 78 -10.309 -4.724 7.996 1.00 0.00 O ATOM 0 H ASP B 78 -11.401 -6.325 6.367 1.00 0.00 H new ATOM 0 HA ASP B 78 -12.696 -4.404 4.557 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -11.249 -2.738 5.674 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -12.246 -3.585 6.840 1.00 0.00 H new ATOM 1203 N VAL B 79 -10.185 -3.691 3.626 1.00 0.00 N ATOM 1204 CA VAL B 79 -9.092 -3.575 2.659 1.00 0.00 C ATOM 1205 C VAL B 79 -7.900 -4.479 2.986 1.00 0.00 C ATOM 1206 O VAL B 79 -7.182 -4.900 2.085 1.00 0.00 O ATOM 1207 CB VAL B 79 -8.584 -2.129 2.568 1.00 0.00 C ATOM 1208 CG1 VAL B 79 -9.060 -1.457 1.297 1.00 0.00 C ATOM 1209 CG2 VAL B 79 -9.020 -1.324 3.778 1.00 0.00 C ATOM 0 H VAL B 79 -10.529 -2.790 3.958 1.00 0.00 H new ATOM 0 HA VAL B 79 -9.516 -3.893 1.707 1.00 0.00 H new ATOM 0 HB VAL B 79 -7.495 -2.167 2.548 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -8.683 -0.435 1.263 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -8.690 -2.009 0.433 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -10.150 -1.443 1.279 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -8.648 -0.303 3.689 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -10.109 -1.310 3.832 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -8.618 -1.780 4.683 1.00 0.00 H new ATOM 1219 N ALA B 80 -7.693 -4.769 4.266 1.00 0.00 N ATOM 1220 CA ALA B 80 -6.558 -5.578 4.705 1.00 0.00 C ATOM 1221 C ALA B 80 -6.452 -6.899 3.937 1.00 0.00 C ATOM 1222 O ALA B 80 -5.471 -7.137 3.230 1.00 0.00 O ATOM 1223 CB ALA B 80 -6.650 -5.838 6.196 1.00 0.00 C ATOM 0 H ALA B 80 -8.300 -4.454 5.023 1.00 0.00 H new ATOM 0 HA ALA B 80 -5.652 -5.011 4.491 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -5.800 -6.442 6.513 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -6.641 -4.889 6.732 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -7.575 -6.371 6.416 1.00 0.00 H new ATOM 1229 N GLN B 81 -7.460 -7.753 4.061 1.00 0.00 N ATOM 1230 CA GLN B 81 -7.455 -9.037 3.375 1.00 0.00 C ATOM 1231 C GLN B 81 -7.669 -8.849 1.878 1.00 0.00 C ATOM 1232 O GLN B 81 -7.236 -9.664 1.065 1.00 0.00 O ATOM 1233 CB GLN B 81 -8.535 -9.943 3.957 1.00 0.00 C ATOM 1234 CG GLN B 81 -8.010 -11.300 4.381 1.00 0.00 C ATOM 1235 CD GLN B 81 -7.741 -12.220 3.206 1.00 0.00 C ATOM 1236 OE1 GLN B 81 -8.418 -12.148 2.183 1.00 0.00 O ATOM 1237 NE2 GLN B 81 -6.755 -13.093 3.347 1.00 0.00 N ATOM 0 H GLN B 81 -8.289 -7.580 4.629 1.00 0.00 H new ATOM 0 HA GLN B 81 -6.482 -9.507 3.523 1.00 0.00 H new ATOM 0 HB2 GLN B 81 -8.988 -9.451 4.817 1.00 0.00 H new ATOM 0 HB3 GLN B 81 -9.323 -10.080 3.217 1.00 0.00 H new ATOM 0 HG2 GLN B 81 -7.090 -11.167 4.950 1.00 0.00 H new ATOM 0 HG3 GLN B 81 -8.732 -11.772 5.048 1.00 0.00 H new ATOM 0 HE21 GLN B 81 -6.217 -13.119 4.213 1.00 0.00 H new ATOM 0 HE22 GLN B 81 -6.533 -13.739 2.589 1.00 0.00 H new ATOM 1246 N ARG B 82 -8.318 -7.750 1.521 1.00 0.00 N ATOM 1247 CA ARG B 82 -8.566 -7.417 0.135 1.00 0.00 C ATOM 1248 C ARG B 82 -7.244 -7.100 -0.569 1.00 0.00 C ATOM 1249 O ARG B 82 -7.094 -7.295 -1.779 1.00 0.00 O ATOM 1250 CB ARG B 82 -9.534 -6.234 0.090 1.00 0.00 C ATOM 1251 CG ARG B 82 -9.574 -5.532 -1.240 1.00 0.00 C ATOM 1252 CD ARG B 82 -10.192 -6.390 -2.332 1.00 0.00 C ATOM 1253 NE ARG B 82 -10.199 -5.701 -3.621 1.00 0.00 N ATOM 1254 CZ ARG B 82 -10.359 -6.315 -4.790 1.00 0.00 C ATOM 1255 NH1 ARG B 82 -10.543 -7.630 -4.834 1.00 0.00 N ATOM 1256 NH2 ARG B 82 -10.330 -5.618 -5.917 1.00 0.00 N ATOM 0 H ARG B 82 -8.685 -7.069 2.186 1.00 0.00 H new ATOM 0 HA ARG B 82 -9.017 -8.259 -0.391 1.00 0.00 H new ATOM 0 HB2 ARG B 82 -10.536 -6.587 0.334 1.00 0.00 H new ATOM 0 HB3 ARG B 82 -9.252 -5.517 0.861 1.00 0.00 H new ATOM 0 HG2 ARG B 82 -10.143 -4.608 -1.142 1.00 0.00 H new ATOM 0 HG3 ARG B 82 -8.561 -5.253 -1.531 1.00 0.00 H new ATOM 0 HD2 ARG B 82 -9.635 -7.323 -2.421 1.00 0.00 H new ATOM 0 HD3 ARG B 82 -11.213 -6.653 -2.054 1.00 0.00 H new ATOM 0 HE ARG B 82 -10.074 -4.689 -3.624 1.00 0.00 H new ATOM 0 HH11 ARG B 82 -10.562 -8.172 -3.970 1.00 0.00 H new ATOM 0 HH12 ARG B 82 -10.665 -8.098 -5.732 1.00 0.00 H new ATOM 0 HH21 ARG B 82 -10.185 -4.609 -5.889 1.00 0.00 H new ATOM 0 HH22 ARG B 82 -10.453 -6.091 -6.812 1.00 0.00 H new ATOM 1270 N LEU B 83 -6.283 -6.642 0.216 1.00 0.00 N ATOM 1271 CA LEU B 83 -4.965 -6.297 -0.297 1.00 0.00 C ATOM 1272 C LEU B 83 -4.106 -7.546 -0.445 1.00 0.00 C ATOM 1273 O LEU B 83 -3.384 -7.693 -1.430 1.00 0.00 O ATOM 1274 CB LEU B 83 -4.270 -5.303 0.634 1.00 0.00 C ATOM 1275 CG LEU B 83 -3.689 -4.072 -0.054 1.00 0.00 C ATOM 1276 CD1 LEU B 83 -3.152 -3.089 0.966 1.00 0.00 C ATOM 1277 CD2 LEU B 83 -2.599 -4.462 -1.039 1.00 0.00 C ATOM 0 H LEU B 83 -6.392 -6.499 1.220 1.00 0.00 H new ATOM 0 HA LEU B 83 -5.093 -5.836 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU B 83 -4.984 -4.975 1.389 1.00 0.00 H new ATOM 0 HB3 LEU B 83 -3.467 -5.820 1.159 1.00 0.00 H new ATOM 0 HG LEU B 83 -4.493 -3.589 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU B 83 -2.743 -2.219 0.452 1.00 0.00 H new ATOM 0 HD12 LEU B 83 -3.959 -2.774 1.627 1.00 0.00 H new ATOM 0 HD13 LEU B 83 -2.367 -3.566 1.553 1.00 0.00 H new ATOM 0 HD21 LEU B 83 -2.202 -3.566 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU B 83 -1.797 -4.977 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU B 83 -3.015 -5.123 -1.799 1.00 0.00 H new ATOM 1289 N MET B 84 -4.205 -8.440 0.539 1.00 0.00 N ATOM 1290 CA MET B 84 -3.430 -9.683 0.550 1.00 0.00 C ATOM 1291 C MET B 84 -3.603 -10.436 -0.761 1.00 0.00 C ATOM 1292 O MET B 84 -2.630 -10.734 -1.459 1.00 0.00 O ATOM 1293 CB MET B 84 -3.877 -10.579 1.709 1.00 0.00 C ATOM 1294 CG MET B 84 -3.700 -9.947 3.075 1.00 0.00 C ATOM 1295 SD MET B 84 -4.340 -10.981 4.406 1.00 0.00 S ATOM 1296 CE MET B 84 -3.939 -9.974 5.830 1.00 0.00 C ATOM 0 H MET B 84 -4.819 -8.326 1.345 1.00 0.00 H new ATOM 0 HA MET B 84 -2.379 -9.423 0.676 1.00 0.00 H new ATOM 0 HB2 MET B 84 -4.927 -10.837 1.572 1.00 0.00 H new ATOM 0 HB3 MET B 84 -3.312 -11.511 1.674 1.00 0.00 H new ATOM 0 HG2 MET B 84 -2.641 -9.754 3.247 1.00 0.00 H new ATOM 0 HG3 MET B 84 -4.207 -8.982 3.093 1.00 0.00 H new ATOM 0 HE1 MET B 84 -4.272 -10.478 6.737 1.00 0.00 H new ATOM 0 HE2 MET B 84 -2.861 -9.820 5.875 1.00 0.00 H new ATOM 0 HE3 MET B 84 -4.440 -9.009 5.746 1.00 0.00 H new ATOM 1306 N GLN B 85 -4.856 -10.707 -1.096 1.00 0.00 N ATOM 1307 CA GLN B 85 -5.195 -11.444 -2.304 1.00 0.00 C ATOM 1308 C GLN B 85 -4.753 -10.690 -3.555 1.00 0.00 C ATOM 1309 O GLN B 85 -4.377 -11.300 -4.555 1.00 0.00 O ATOM 1310 CB GLN B 85 -6.704 -11.696 -2.346 1.00 0.00 C ATOM 1311 CG GLN B 85 -7.208 -12.550 -1.194 1.00 0.00 C ATOM 1312 CD GLN B 85 -6.734 -13.985 -1.282 1.00 0.00 C ATOM 1313 OE1 GLN B 85 -5.663 -14.334 -0.786 1.00 0.00 O ATOM 1314 NE2 GLN B 85 -7.532 -14.828 -1.916 1.00 0.00 N ATOM 0 H GLN B 85 -5.663 -10.423 -0.541 1.00 0.00 H new ATOM 0 HA GLN B 85 -4.667 -12.397 -2.285 1.00 0.00 H new ATOM 0 HB2 GLN B 85 -7.225 -10.739 -2.333 1.00 0.00 H new ATOM 0 HB3 GLN B 85 -6.957 -12.184 -3.287 1.00 0.00 H new ATOM 0 HG2 GLN B 85 -6.872 -12.117 -0.252 1.00 0.00 H new ATOM 0 HG3 GLN B 85 -8.298 -12.531 -1.182 1.00 0.00 H new ATOM 0 HE21 GLN B 85 -8.412 -14.497 -2.313 1.00 0.00 H new ATOM 0 HE22 GLN B 85 -7.268 -15.809 -2.008 1.00 0.00 H new ATOM 1323 N HIS B 86 -4.763 -9.361 -3.484 1.00 0.00 N ATOM 1324 CA HIS B 86 -4.459 -8.543 -4.650 1.00 0.00 C ATOM 1325 C HIS B 86 -2.957 -8.496 -4.934 1.00 0.00 C ATOM 1326 O HIS B 86 -2.537 -8.120 -6.028 1.00 0.00 O ATOM 1327 CB HIS B 86 -5.005 -7.125 -4.480 1.00 0.00 C ATOM 1328 CG HIS B 86 -4.951 -6.318 -5.741 1.00 0.00 C ATOM 1329 ND1 HIS B 86 -5.562 -6.714 -6.909 1.00 0.00 N ATOM 1330 CD2 HIS B 86 -4.354 -5.133 -6.016 1.00 0.00 C ATOM 1331 CE1 HIS B 86 -5.351 -5.811 -7.843 1.00 0.00 C ATOM 1332 NE2 HIS B 86 -4.621 -4.837 -7.332 1.00 0.00 N ATOM 0 H HIS B 86 -4.977 -8.833 -2.638 1.00 0.00 H new ATOM 0 HA HIS B 86 -4.949 -9.010 -5.505 1.00 0.00 H new ATOM 0 HB2 HIS B 86 -6.037 -7.179 -4.134 1.00 0.00 H new ATOM 0 HB3 HIS B 86 -4.435 -6.614 -3.704 1.00 0.00 H new ATOM 0 HD1 HIS B 86 -6.096 -7.574 -7.032 1.00 0.00 H new ATOM 0 HD2 HIS B 86 -3.776 -4.533 -5.329 1.00 0.00 H new ATOM 0 HE1 HIS B 86 -5.715 -5.859 -8.859 1.00 0.00 H new ATOM 1341 N LEU B 87 -2.146 -8.855 -3.953 1.00 0.00 N ATOM 1342 CA LEU B 87 -0.716 -8.946 -4.174 1.00 0.00 C ATOM 1343 C LEU B 87 -0.327 -10.378 -4.527 1.00 0.00 C ATOM 1344 O LEU B 87 0.546 -10.617 -5.366 1.00 0.00 O ATOM 1345 CB LEU B 87 0.037 -8.472 -2.936 1.00 0.00 C ATOM 1346 CG LEU B 87 -0.352 -7.076 -2.453 1.00 0.00 C ATOM 1347 CD1 LEU B 87 0.373 -6.752 -1.161 1.00 0.00 C ATOM 1348 CD2 LEU B 87 -0.049 -6.034 -3.525 1.00 0.00 C ATOM 0 H LEU B 87 -2.450 -9.085 -3.007 1.00 0.00 H new ATOM 0 HA LEU B 87 -0.445 -8.301 -5.010 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -0.134 -9.183 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU B 87 1.106 -8.484 -3.150 1.00 0.00 H new ATOM 0 HG LEU B 87 -1.425 -7.056 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU B 87 0.089 -5.755 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU B 87 0.102 -7.483 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU B 87 1.449 -6.785 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -0.333 -5.046 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU B 87 1.017 -6.045 -3.752 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -0.614 -6.266 -4.428 1.00 0.00 H new ATOM 1360 N ALA B 88 -1.008 -11.322 -3.897 1.00 0.00 N ATOM 1361 CA ALA B 88 -0.760 -12.741 -4.131 1.00 0.00 C ATOM 1362 C ALA B 88 -1.148 -13.153 -5.550 1.00 0.00 C ATOM 1363 O ALA B 88 -0.638 -14.145 -6.078 1.00 0.00 O ATOM 1364 CB ALA B 88 -1.516 -13.584 -3.116 1.00 0.00 C ATOM 0 H ALA B 88 -1.742 -11.132 -3.215 1.00 0.00 H new ATOM 0 HA ALA B 88 0.310 -12.913 -4.014 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -1.321 -14.640 -3.303 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -1.184 -13.327 -2.110 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -2.585 -13.391 -3.206 1.00 0.00 H new ATOM 1370 N GLU B 89 -2.046 -12.384 -6.162 1.00 0.00 N ATOM 1371 CA GLU B 89 -2.531 -12.675 -7.511 1.00 0.00 C ATOM 1372 C GLU B 89 -1.483 -12.356 -8.581 1.00 0.00 C ATOM 1373 O GLU B 89 -1.666 -12.690 -9.749 1.00 0.00 O ATOM 1374 CB GLU B 89 -3.807 -11.882 -7.798 1.00 0.00 C ATOM 1375 CG GLU B 89 -3.613 -10.378 -7.700 1.00 0.00 C ATOM 1376 CD GLU B 89 -4.811 -9.566 -8.160 1.00 0.00 C ATOM 1377 OE1 GLU B 89 -5.780 -9.418 -7.385 1.00 0.00 O ATOM 1378 OE2 GLU B 89 -4.768 -9.028 -9.289 1.00 0.00 O ATOM 0 H GLU B 89 -2.455 -11.549 -5.742 1.00 0.00 H new ATOM 0 HA GLU B 89 -2.741 -13.744 -7.552 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -4.165 -12.131 -8.797 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -4.583 -12.188 -7.096 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -3.387 -10.118 -6.666 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -2.745 -10.095 -8.296 1.00 0.00 H new ATOM 1385 N HIS B 90 -0.390 -11.705 -8.191 1.00 0.00 N ATOM 1386 CA HIS B 90 0.643 -11.332 -9.156 1.00 0.00 C ATOM 1387 C HIS B 90 1.983 -11.993 -8.837 1.00 0.00 C ATOM 1388 O HIS B 90 2.367 -12.966 -9.484 1.00 0.00 O ATOM 1389 CB HIS B 90 0.799 -9.807 -9.247 1.00 0.00 C ATOM 1390 CG HIS B 90 -0.418 -9.120 -9.786 1.00 0.00 C ATOM 1391 ND1 HIS B 90 -0.734 -9.099 -11.121 1.00 0.00 N ATOM 1392 CD2 HIS B 90 -1.424 -8.472 -9.157 1.00 0.00 C ATOM 1393 CE1 HIS B 90 -1.880 -8.473 -11.293 1.00 0.00 C ATOM 1394 NE2 HIS B 90 -2.332 -8.082 -10.113 1.00 0.00 N ATOM 0 H HIS B 90 -0.197 -11.428 -7.229 1.00 0.00 H new ATOM 0 HA HIS B 90 0.316 -11.699 -10.129 1.00 0.00 H new ATOM 0 HB2 HIS B 90 1.023 -9.411 -8.256 1.00 0.00 H new ATOM 0 HB3 HIS B 90 1.652 -9.573 -9.884 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -1.501 -8.293 -8.095 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -2.370 -8.306 -12.241 1.00 0.00 H new ATOM 0 HE2 HIS B 90 -3.203 -7.579 -9.942 1.00 0.00 H new ATOM 1403 N GLY B 91 2.680 -11.479 -7.833 1.00 0.00 N ATOM 1404 CA GLY B 91 3.966 -12.049 -7.458 1.00 0.00 C ATOM 1405 C GLY B 91 4.781 -11.111 -6.593 1.00 0.00 C ATOM 1406 O GLY B 91 6.005 -11.053 -6.709 1.00 0.00 O ATOM 0 H GLY B 91 2.383 -10.681 -7.271 1.00 0.00 H new ATOM 0 HA2 GLY B 91 3.804 -12.984 -6.923 1.00 0.00 H new ATOM 0 HA3 GLY B 91 4.530 -12.291 -8.359 1.00 0.00 H new ATOM 1410 N ILE B 92 4.086 -10.388 -5.725 1.00 0.00 N ATOM 1411 CA ILE B 92 4.690 -9.407 -4.835 1.00 0.00 C ATOM 1412 C ILE B 92 5.808 -10.005 -3.980 1.00 0.00 C ATOM 1413 O ILE B 92 5.716 -11.144 -3.509 1.00 0.00 O ATOM 1414 CB ILE B 92 3.593 -8.781 -3.943 1.00 0.00 C ATOM 1415 CG1 ILE B 92 2.961 -7.596 -4.672 1.00 0.00 C ATOM 1416 CG2 ILE B 92 4.123 -8.368 -2.576 1.00 0.00 C ATOM 1417 CD1 ILE B 92 2.140 -7.984 -5.881 1.00 0.00 C ATOM 0 H ILE B 92 3.075 -10.468 -5.618 1.00 0.00 H new ATOM 0 HA ILE B 92 5.151 -8.634 -5.450 1.00 0.00 H new ATOM 0 HB ILE B 92 2.832 -9.539 -3.758 1.00 0.00 H new ATOM 0 HG12 ILE B 92 2.326 -7.050 -3.974 1.00 0.00 H new ATOM 0 HG13 ILE B 92 3.750 -6.913 -4.986 1.00 0.00 H new ATOM 0 HG21 ILE B 92 3.314 -7.934 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE B 92 4.518 -9.243 -2.060 1.00 0.00 H new ATOM 0 HG23 ILE B 92 4.916 -7.631 -2.701 1.00 0.00 H new ATOM 0 HD11 ILE B 92 1.726 -7.088 -6.342 1.00 0.00 H new ATOM 0 HD12 ILE B 92 2.774 -8.502 -6.600 1.00 0.00 H new ATOM 0 HD13 ILE B 92 1.327 -8.642 -5.573 1.00 0.00 H new ATOM 1429 N GLN B 93 6.864 -9.223 -3.801 1.00 0.00 N ATOM 1430 CA GLN B 93 8.007 -9.625 -3.002 1.00 0.00 C ATOM 1431 C GLN B 93 7.763 -9.295 -1.536 1.00 0.00 C ATOM 1432 O GLN B 93 7.337 -8.191 -1.196 1.00 0.00 O ATOM 1433 CB GLN B 93 9.284 -8.917 -3.477 1.00 0.00 C ATOM 1434 CG GLN B 93 9.731 -9.282 -4.890 1.00 0.00 C ATOM 1435 CD GLN B 93 8.792 -8.777 -5.973 1.00 0.00 C ATOM 1436 OE1 GLN B 93 8.126 -7.760 -5.810 1.00 0.00 O ATOM 1437 NE2 GLN B 93 8.743 -9.479 -7.093 1.00 0.00 N ATOM 0 H GLN B 93 6.950 -8.291 -4.207 1.00 0.00 H new ATOM 0 HA GLN B 93 8.138 -10.701 -3.118 1.00 0.00 H new ATOM 0 HB2 GLN B 93 9.125 -7.840 -3.428 1.00 0.00 H new ATOM 0 HB3 GLN B 93 10.092 -9.151 -2.784 1.00 0.00 H new ATOM 0 HG2 GLN B 93 10.727 -8.874 -5.064 1.00 0.00 H new ATOM 0 HG3 GLN B 93 9.813 -10.366 -4.968 1.00 0.00 H new ATOM 0 HE21 GLN B 93 9.311 -10.320 -7.193 1.00 0.00 H new ATOM 0 HE22 GLN B 93 8.137 -9.179 -7.857 1.00 0.00 H new ATOM 1446 N PRO B 94 8.000 -10.269 -0.652 1.00 0.00 N ATOM 1447 CA PRO B 94 7.928 -10.062 0.795 1.00 0.00 C ATOM 1448 C PRO B 94 9.002 -9.089 1.272 1.00 0.00 C ATOM 1449 O PRO B 94 9.902 -8.718 0.515 1.00 0.00 O ATOM 1450 CB PRO B 94 8.183 -11.457 1.377 1.00 0.00 C ATOM 1451 CG PRO B 94 7.984 -12.408 0.245 1.00 0.00 C ATOM 1452 CD PRO B 94 8.338 -11.653 -1.001 1.00 0.00 C ATOM 0 HA PRO B 94 6.974 -9.633 1.102 1.00 0.00 H new ATOM 0 HB2 PRO B 94 9.192 -11.534 1.781 1.00 0.00 H new ATOM 0 HB3 PRO B 94 7.495 -11.672 2.195 1.00 0.00 H new ATOM 0 HG2 PRO B 94 8.617 -13.288 0.360 1.00 0.00 H new ATOM 0 HG3 PRO B 94 6.953 -12.759 0.208 1.00 0.00 H new ATOM 0 HD2 PRO B 94 9.393 -11.760 -1.252 1.00 0.00 H new ATOM 0 HD3 PRO B 94 7.768 -12.003 -1.862 1.00 0.00 H new ATOM 1460 N ALA B 95 8.911 -8.680 2.531 1.00 0.00 N ATOM 1461 CA ALA B 95 9.855 -7.723 3.091 1.00 0.00 C ATOM 1462 C ALA B 95 11.198 -8.385 3.379 1.00 0.00 C ATOM 1463 O ALA B 95 11.610 -8.515 4.531 1.00 0.00 O ATOM 1464 CB ALA B 95 9.288 -7.102 4.353 1.00 0.00 C ATOM 0 H ALA B 95 8.193 -8.996 3.183 1.00 0.00 H new ATOM 0 HA ALA B 95 10.018 -6.935 2.356 1.00 0.00 H new ATOM 0 HB1 ALA B 95 10.004 -6.389 4.761 1.00 0.00 H new ATOM 0 HB2 ALA B 95 8.356 -6.587 4.118 1.00 0.00 H new ATOM 0 HB3 ALA B 95 9.095 -7.883 5.088 1.00 0.00 H new ATOM 1470 N ARG B 96 11.875 -8.787 2.314 1.00 0.00 N ATOM 1471 CA ARG B 96 13.135 -9.512 2.420 1.00 0.00 C ATOM 1472 C ARG B 96 14.329 -8.651 2.019 1.00 0.00 C ATOM 1473 O ARG B 96 15.469 -9.122 2.028 1.00 0.00 O ATOM 1474 CB ARG B 96 13.098 -10.766 1.546 1.00 0.00 C ATOM 1475 CG ARG B 96 12.095 -11.825 1.994 1.00 0.00 C ATOM 1476 CD ARG B 96 12.527 -12.513 3.281 1.00 0.00 C ATOM 1477 NE ARG B 96 12.261 -11.706 4.472 1.00 0.00 N ATOM 1478 CZ ARG B 96 13.197 -11.324 5.339 1.00 0.00 C ATOM 1479 NH1 ARG B 96 14.476 -11.584 5.096 1.00 0.00 N ATOM 1480 NH2 ARG B 96 12.861 -10.670 6.441 1.00 0.00 N ATOM 0 H ARG B 96 11.569 -8.621 1.355 1.00 0.00 H new ATOM 0 HA ARG B 96 13.257 -9.791 3.467 1.00 0.00 H new ATOM 0 HB2 ARG B 96 12.864 -10.473 0.523 1.00 0.00 H new ATOM 0 HB3 ARG B 96 14.093 -11.211 1.530 1.00 0.00 H new ATOM 0 HG2 ARG B 96 11.120 -11.361 2.141 1.00 0.00 H new ATOM 0 HG3 ARG B 96 11.978 -12.570 1.207 1.00 0.00 H new ATOM 0 HD2 ARG B 96 12.007 -13.467 3.370 1.00 0.00 H new ATOM 0 HD3 ARG B 96 13.593 -12.735 3.229 1.00 0.00 H new ATOM 0 HE ARG B 96 11.299 -11.418 4.649 1.00 0.00 H new ATOM 0 HH11 ARG B 96 14.743 -12.077 4.244 1.00 0.00 H new ATOM 0 HH12 ARG B 96 15.191 -11.291 5.761 1.00 0.00 H new ATOM 0 HH21 ARG B 96 11.881 -10.457 6.629 1.00 0.00 H new ATOM 0 HH22 ARG B 96 13.582 -10.380 7.102 1.00 0.00 H new ATOM 1494 N ASN B 97 14.079 -7.396 1.660 1.00 0.00 N ATOM 1495 CA ASN B 97 15.168 -6.501 1.273 1.00 0.00 C ATOM 1496 C ASN B 97 15.631 -5.650 2.461 1.00 0.00 C ATOM 1497 O ASN B 97 16.663 -5.954 3.062 1.00 0.00 O ATOM 1498 CB ASN B 97 14.803 -5.624 0.052 1.00 0.00 C ATOM 1499 CG ASN B 97 13.475 -4.896 0.173 1.00 0.00 C ATOM 1500 OD1 ASN B 97 13.398 -3.810 0.746 1.00 0.00 O ATOM 1501 ND2 ASN B 97 12.429 -5.466 -0.401 1.00 0.00 N ATOM 0 H ASN B 97 13.149 -6.979 1.628 1.00 0.00 H new ATOM 0 HA ASN B 97 16.004 -7.129 0.965 1.00 0.00 H new ATOM 0 HB2 ASN B 97 15.593 -4.889 -0.100 1.00 0.00 H new ATOM 0 HB3 ASN B 97 14.778 -6.254 -0.837 1.00 0.00 H new ATOM 0 HD21 ASN B 97 11.520 -5.004 -0.378 1.00 0.00 H new ATOM 0 HD22 ASN B 97 12.531 -6.368 -0.867 1.00 0.00 H new ATOM 1508 N MET B 98 14.884 -4.598 2.799 1.00 0.00 N ATOM 1509 CA MET B 98 15.227 -3.722 3.927 1.00 0.00 C ATOM 1510 C MET B 98 16.629 -3.131 3.772 1.00 0.00 C ATOM 1511 O MET B 98 17.300 -2.844 4.761 1.00 0.00 O ATOM 1512 CB MET B 98 15.131 -4.473 5.263 1.00 0.00 C ATOM 1513 CG MET B 98 13.714 -4.821 5.683 1.00 0.00 C ATOM 1514 SD MET B 98 12.695 -3.359 5.959 1.00 0.00 S ATOM 1515 CE MET B 98 11.244 -4.104 6.700 1.00 0.00 C ATOM 0 H MET B 98 14.032 -4.329 2.306 1.00 0.00 H new ATOM 0 HA MET B 98 14.503 -2.907 3.926 1.00 0.00 H new ATOM 0 HB2 MET B 98 15.713 -5.392 5.193 1.00 0.00 H new ATOM 0 HB3 MET B 98 15.590 -3.864 6.042 1.00 0.00 H new ATOM 0 HG2 MET B 98 13.253 -5.441 4.914 1.00 0.00 H new ATOM 0 HG3 MET B 98 13.745 -5.416 6.596 1.00 0.00 H new ATOM 0 HE1 MET B 98 10.722 -3.361 7.303 1.00 0.00 H new ATOM 0 HE2 MET B 98 10.580 -4.466 5.915 1.00 0.00 H new ATOM 0 HE3 MET B 98 11.546 -4.938 7.333 1.00 0.00 H new ATOM 1525 N ALA B 99 17.060 -2.942 2.531 1.00 0.00 N ATOM 1526 CA ALA B 99 18.400 -2.440 2.259 1.00 0.00 C ATOM 1527 C ALA B 99 18.556 -1.006 2.746 1.00 0.00 C ATOM 1528 O ALA B 99 19.431 -0.700 3.557 1.00 0.00 O ATOM 1529 CB ALA B 99 18.710 -2.534 0.771 1.00 0.00 C ATOM 0 H ALA B 99 16.501 -3.129 1.698 1.00 0.00 H new ATOM 0 HA ALA B 99 19.111 -3.060 2.804 1.00 0.00 H new ATOM 0 HB1 ALA B 99 19.715 -2.155 0.584 1.00 0.00 H new ATOM 0 HB2 ALA B 99 18.649 -3.574 0.452 1.00 0.00 H new ATOM 0 HB3 ALA B 99 17.988 -1.940 0.211 1.00 0.00 H new ATOM 1535 N GLU B 100 17.680 -0.137 2.269 1.00 0.00 N ATOM 1536 CA GLU B 100 17.715 1.273 2.629 1.00 0.00 C ATOM 1537 C GLU B 100 16.785 1.534 3.806 1.00 0.00 C ATOM 1538 O GLU B 100 16.114 2.563 3.875 1.00 0.00 O ATOM 1539 CB GLU B 100 17.305 2.118 1.422 1.00 0.00 C ATOM 1540 CG GLU B 100 18.128 1.820 0.178 1.00 0.00 C ATOM 1541 CD GLU B 100 17.608 2.530 -1.049 1.00 0.00 C ATOM 1542 OE1 GLU B 100 16.675 2.008 -1.691 1.00 0.00 O ATOM 1543 OE2 GLU B 100 18.133 3.615 -1.380 1.00 0.00 O ATOM 0 H GLU B 100 16.929 -0.386 1.625 1.00 0.00 H new ATOM 0 HA GLU B 100 18.728 1.547 2.925 1.00 0.00 H new ATOM 0 HB2 GLU B 100 16.252 1.942 1.204 1.00 0.00 H new ATOM 0 HB3 GLU B 100 17.407 3.174 1.674 1.00 0.00 H new ATOM 0 HG2 GLU B 100 19.163 2.115 0.353 1.00 0.00 H new ATOM 0 HG3 GLU B 100 18.130 0.745 -0.003 1.00 0.00 H new ATOM 1550 N HIS B 101 16.732 0.575 4.718 1.00 0.00 N ATOM 1551 CA HIS B 101 15.878 0.671 5.891 1.00 0.00 C ATOM 1552 C HIS B 101 16.696 0.427 7.148 1.00 0.00 C ATOM 1553 O HIS B 101 17.716 -0.262 7.107 1.00 0.00 O ATOM 1554 CB HIS B 101 14.744 -0.359 5.838 1.00 0.00 C ATOM 1555 CG HIS B 101 13.714 -0.129 4.769 1.00 0.00 C ATOM 1556 ND1 HIS B 101 12.364 -0.065 5.037 1.00 0.00 N ATOM 1557 CD2 HIS B 101 13.831 -0.029 3.422 1.00 0.00 C ATOM 1558 CE1 HIS B 101 11.697 0.053 3.902 1.00 0.00 C ATOM 1559 NE2 HIS B 101 12.562 0.081 2.912 1.00 0.00 N ATOM 0 H HIS B 101 17.276 -0.286 4.666 1.00 0.00 H new ATOM 0 HA HIS B 101 15.448 1.672 5.907 1.00 0.00 H new ATOM 0 HB2 HIS B 101 15.180 -1.347 5.692 1.00 0.00 H new ATOM 0 HB3 HIS B 101 14.242 -0.372 6.806 1.00 0.00 H new ATOM 0 HD1 HIS B 101 11.945 -0.103 5.966 1.00 0.00 H new ATOM 0 HD2 HIS B 101 14.751 -0.035 2.856 1.00 0.00 H new ATOM 0 HE1 HIS B 101 10.623 0.116 3.804 1.00 0.00 H new ATOM 1568 N ILE B 102 16.239 0.979 8.259 1.00 0.00 N ATOM 1569 CA ILE B 102 16.857 0.734 9.553 1.00 0.00 C ATOM 1570 C ILE B 102 15.764 0.436 10.577 1.00 0.00 C ATOM 1571 O ILE B 102 15.304 1.330 11.295 1.00 0.00 O ATOM 1572 CB ILE B 102 17.724 1.924 10.035 1.00 0.00 C ATOM 1573 CG1 ILE B 102 18.801 2.258 8.999 1.00 0.00 C ATOM 1574 CG2 ILE B 102 18.369 1.601 11.379 1.00 0.00 C ATOM 1575 CD1 ILE B 102 19.676 3.431 9.386 1.00 0.00 C ATOM 0 H ILE B 102 15.435 1.606 8.291 1.00 0.00 H new ATOM 0 HA ILE B 102 17.526 -0.120 9.447 1.00 0.00 H new ATOM 0 HB ILE B 102 17.078 2.793 10.157 1.00 0.00 H new ATOM 0 HG12 ILE B 102 19.431 1.381 8.847 1.00 0.00 H new ATOM 0 HG13 ILE B 102 18.320 2.474 8.045 1.00 0.00 H new ATOM 0 HG21 ILE B 102 18.975 2.447 11.704 1.00 0.00 H new ATOM 0 HG22 ILE B 102 17.592 1.406 12.118 1.00 0.00 H new ATOM 0 HG23 ILE B 102 19.002 0.719 11.276 1.00 0.00 H new ATOM 0 HD11 ILE B 102 20.415 3.608 8.604 1.00 0.00 H new ATOM 0 HD12 ILE B 102 19.058 4.321 9.509 1.00 0.00 H new ATOM 0 HD13 ILE B 102 20.186 3.211 10.324 1.00 0.00 H new ATOM 1587 N PRO B 103 15.304 -0.824 10.617 1.00 0.00 N ATOM 1588 CA PRO B 103 14.237 -1.249 11.525 1.00 0.00 C ATOM 1589 C PRO B 103 14.730 -1.416 12.959 1.00 0.00 C ATOM 1590 O PRO B 103 15.912 -1.676 13.192 1.00 0.00 O ATOM 1591 CB PRO B 103 13.806 -2.597 10.943 1.00 0.00 C ATOM 1592 CG PRO B 103 15.026 -3.133 10.278 1.00 0.00 C ATOM 1593 CD PRO B 103 15.792 -1.937 9.776 1.00 0.00 C ATOM 0 HA PRO B 103 13.432 -0.517 11.588 1.00 0.00 H new ATOM 0 HB2 PRO B 103 13.453 -3.270 11.724 1.00 0.00 H new ATOM 0 HB3 PRO B 103 12.988 -2.478 10.232 1.00 0.00 H new ATOM 0 HG2 PRO B 103 15.627 -3.714 10.977 1.00 0.00 H new ATOM 0 HG3 PRO B 103 14.761 -3.798 9.456 1.00 0.00 H new ATOM 0 HD2 PRO B 103 16.868 -2.077 9.884 1.00 0.00 H new ATOM 0 HD3 PRO B 103 15.599 -1.754 8.719 1.00 0.00 H new ATOM 1601 N PRO B 104 13.824 -1.252 13.938 1.00 0.00 N ATOM 1602 CA PRO B 104 14.152 -1.399 15.358 1.00 0.00 C ATOM 1603 C PRO B 104 14.643 -2.805 15.689 1.00 0.00 C ATOM 1604 O PRO B 104 13.906 -3.784 15.550 1.00 0.00 O ATOM 1605 CB PRO B 104 12.828 -1.116 16.077 1.00 0.00 C ATOM 1606 CG PRO B 104 11.985 -0.397 15.081 1.00 0.00 C ATOM 1607 CD PRO B 104 12.407 -0.905 13.735 1.00 0.00 C ATOM 0 HA PRO B 104 14.958 -0.729 15.656 1.00 0.00 H new ATOM 0 HB2 PRO B 104 12.351 -2.041 16.401 1.00 0.00 H new ATOM 0 HB3 PRO B 104 12.987 -0.510 16.969 1.00 0.00 H new ATOM 0 HG2 PRO B 104 10.926 -0.589 15.256 1.00 0.00 H new ATOM 0 HG3 PRO B 104 12.130 0.681 15.154 1.00 0.00 H new ATOM 0 HD2 PRO B 104 11.820 -1.771 13.429 1.00 0.00 H new ATOM 0 HD3 PRO B 104 12.284 -0.147 12.961 1.00 0.00 H new ATOM 1615 N ALA B 105 15.888 -2.897 16.122 1.00 0.00 N ATOM 1616 CA ALA B 105 16.497 -4.176 16.434 1.00 0.00 C ATOM 1617 C ALA B 105 16.240 -4.553 17.888 1.00 0.00 C ATOM 1618 O ALA B 105 16.273 -3.694 18.772 1.00 0.00 O ATOM 1619 CB ALA B 105 17.991 -4.123 16.154 1.00 0.00 C ATOM 0 H ALA B 105 16.500 -2.094 16.266 1.00 0.00 H new ATOM 0 HA ALA B 105 16.047 -4.940 15.800 1.00 0.00 H new ATOM 0 HB1 ALA B 105 18.440 -5.087 16.391 1.00 0.00 H new ATOM 0 HB2 ALA B 105 18.156 -3.895 15.101 1.00 0.00 H new ATOM 0 HB3 ALA B 105 18.449 -3.348 16.769 1.00 0.00 H new ATOM 1625 N PRO B 106 15.972 -5.844 18.150 1.00 0.00 N ATOM 1626 CA PRO B 106 15.751 -6.370 19.507 1.00 0.00 C ATOM 1627 C PRO B 106 17.030 -6.376 20.349 1.00 0.00 C ATOM 1628 O PRO B 106 17.379 -7.379 20.973 1.00 0.00 O ATOM 1629 CB PRO B 106 15.266 -7.809 19.268 1.00 0.00 C ATOM 1630 CG PRO B 106 14.924 -7.879 17.819 1.00 0.00 C ATOM 1631 CD PRO B 106 15.831 -6.898 17.139 1.00 0.00 C ATOM 0 HA PRO B 106 15.044 -5.755 20.064 1.00 0.00 H new ATOM 0 HB2 PRO B 106 16.041 -8.532 19.524 1.00 0.00 H new ATOM 0 HB3 PRO B 106 14.399 -8.039 19.887 1.00 0.00 H new ATOM 0 HG2 PRO B 106 15.074 -8.886 17.430 1.00 0.00 H new ATOM 0 HG3 PRO B 106 13.877 -7.625 17.651 1.00 0.00 H new ATOM 0 HD2 PRO B 106 16.791 -7.344 16.881 1.00 0.00 H new ATOM 0 HD3 PRO B 106 15.397 -6.518 16.214 1.00 0.00 H new ATOM 1639 N ASN B 107 17.730 -5.253 20.343 1.00 0.00 N ATOM 1640 CA ASN B 107 18.932 -5.079 21.147 1.00 0.00 C ATOM 1641 C ASN B 107 18.567 -4.356 22.436 1.00 0.00 C ATOM 1642 O ASN B 107 19.236 -4.490 23.462 1.00 0.00 O ATOM 1643 CB ASN B 107 19.977 -4.279 20.359 1.00 0.00 C ATOM 1644 CG ASN B 107 21.279 -4.074 21.116 1.00 0.00 C ATOM 1645 OD1 ASN B 107 21.441 -3.096 21.847 1.00 0.00 O ATOM 1646 ND2 ASN B 107 22.224 -4.977 20.923 1.00 0.00 N ATOM 0 H ASN B 107 17.483 -4.437 19.783 1.00 0.00 H new ATOM 0 HA ASN B 107 19.358 -6.052 21.390 1.00 0.00 H new ATOM 0 HB2 ASN B 107 20.188 -4.795 19.422 1.00 0.00 H new ATOM 0 HB3 ASN B 107 19.559 -3.306 20.100 1.00 0.00 H new ATOM 0 HD21 ASN B 107 23.127 -4.878 21.387 1.00 0.00 H new ATOM 0 HD22 ASN B 107 22.051 -5.773 20.310 1.00 0.00 H new ATOM 1653 N TRP B 108 17.484 -3.595 22.366 1.00 0.00 N ATOM 1654 CA TRP B 108 16.983 -2.852 23.508 1.00 0.00 C ATOM 1655 C TRP B 108 15.813 -3.601 24.139 1.00 0.00 C ATOM 1656 O TRP B 108 14.683 -3.494 23.615 1.00 0.00 O ATOM 1657 CB TRP B 108 16.547 -1.451 23.063 1.00 0.00 C ATOM 1658 CG TRP B 108 16.065 -0.579 24.186 1.00 0.00 C ATOM 1659 CD1 TRP B 108 14.769 -0.345 24.542 1.00 0.00 C ATOM 1660 CD2 TRP B 108 16.872 0.181 25.093 1.00 0.00 C ATOM 1661 NE1 TRP B 108 14.719 0.506 25.617 1.00 0.00 N ATOM 1662 CE2 TRP B 108 16.000 0.843 25.974 1.00 0.00 C ATOM 1663 CE3 TRP B 108 18.250 0.359 25.247 1.00 0.00 C ATOM 1664 CZ2 TRP B 108 16.460 1.674 26.992 1.00 0.00 C ATOM 1665 CZ3 TRP B 108 18.706 1.182 26.257 1.00 0.00 C ATOM 1666 CH2 TRP B 108 17.813 1.830 27.120 1.00 0.00 C ATOM 1667 OXT TRP B 108 16.027 -4.305 25.146 1.00 0.00 O ATOM 0 H TRP B 108 16.931 -3.477 21.517 1.00 0.00 H new ATOM 0 HA TRP B 108 17.774 -2.752 24.251 1.00 0.00 H new ATOM 0 HB2 TRP B 108 17.385 -0.960 22.569 1.00 0.00 H new ATOM 0 HB3 TRP B 108 15.752 -1.546 22.323 1.00 0.00 H new ATOM 0 HD1 TRP B 108 13.907 -0.769 24.049 1.00 0.00 H new ATOM 0 HE1 TRP B 108 13.869 0.834 26.075 1.00 0.00 H new ATOM 0 HE3 TRP B 108 18.946 -0.139 24.587 1.00 0.00 H new ATOM 0 HZ2 TRP B 108 15.773 2.177 27.657 1.00 0.00 H new ATOM 0 HZ3 TRP B 108 19.768 1.329 26.384 1.00 0.00 H new ATOM 0 HH2 TRP B 108 18.201 2.466 27.902 1.00 0.00 H new TER 1678 TRP B 108