USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 689 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 30 SER OG : rot 1:sc= -1.75! USER MOD Set 1.2: A 80 ASN : amide:sc= -0.61 K(o=-2.4,f=-0.51) USER MOD Set 2.1: A 22 HIS : no HD1:sc= 0.709 K(o=-2.1,f=-4) USER MOD Set 2.2: A 59 SER OG : rot -149:sc= -2.82! USER MOD Single : A 25 GLN : amide:sc= -0.574 K(o=-0.57,f=-0.0092) USER MOD Single : A 27 SER OG : rot 180:sc= -0.319 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 1.3 (180deg=1.19) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= -0.105 (180deg=-0.519) USER MOD Single : A 48 ASN : amide:sc= -2.35! K(o=-2.4!,f=-0.27) USER MOD Single : A 62 GLN : amide:sc= -3.29! C(o=-3.3!,f=-8.1!) USER MOD Single : A 64 LYS NZ :NH3+ -154:sc= 1.57 (180deg=0.345!) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.0415 USER MOD Single : A 73 GLN : amide:sc= -1.52 K(o=-1.5,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.31! X(o=-1.3!,f=-0.89) USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -2.01 K(o=-2,f=-0.6) USER MOD Single : A 88 THR OG1 : rot -12:sc= 1.96 USER MOD Single : A 93 ASN : amide:sc= 0.948 K(o=0.95,f=0) USER MOD Single : A 96 SER OG : rot 84:sc= -0.0328 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 3.092 -12.040 -1.715 1.00 0.00 N ATOM 2 CA GLY A 15 3.874 -12.105 -2.953 1.00 0.00 C ATOM 3 C GLY A 15 5.215 -11.422 -2.799 1.00 0.00 C ATOM 4 O GLY A 15 6.022 -11.373 -3.737 1.00 0.00 O ATOM 0 HA2 GLY A 15 4.026 -13.147 -3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.316 -11.634 -3.762 1.00 0.00 H new ATOM 8 N LEU A 16 5.500 -10.948 -1.612 1.00 0.00 N ATOM 9 CA LEU A 16 6.659 -10.171 -1.384 1.00 0.00 C ATOM 10 C LEU A 16 7.124 -10.257 0.030 1.00 0.00 C ATOM 11 O LEU A 16 6.492 -10.890 0.859 1.00 0.00 O ATOM 12 CB LEU A 16 6.466 -8.703 -1.797 1.00 0.00 C ATOM 13 CG LEU A 16 5.145 -7.968 -1.514 1.00 0.00 C ATOM 14 CD1 LEU A 16 4.606 -8.215 -0.136 1.00 0.00 C ATOM 15 CD2 LEU A 16 5.379 -6.488 -1.694 1.00 0.00 C ATOM 0 H LEU A 16 4.923 -11.099 -0.784 1.00 0.00 H new ATOM 0 HA LEU A 16 7.435 -10.597 -2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.259 -8.130 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.638 -8.648 -2.872 1.00 0.00 H new ATOM 0 HG LEU A 16 4.402 -8.352 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.673 -7.666 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.421 -9.281 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.332 -7.878 0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.453 -5.947 -1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.149 -6.154 -0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.704 -6.293 -2.716 1.00 0.00 H new ATOM 27 N ARG A 17 8.197 -9.570 0.303 1.00 0.00 N ATOM 28 CA ARG A 17 8.752 -9.550 1.609 1.00 0.00 C ATOM 29 C ARG A 17 8.137 -8.430 2.422 1.00 0.00 C ATOM 30 O ARG A 17 8.034 -8.549 3.653 1.00 0.00 O ATOM 31 CB ARG A 17 10.279 -9.440 1.574 1.00 0.00 C ATOM 32 CG ARG A 17 10.968 -10.619 0.900 1.00 0.00 C ATOM 33 CD ARG A 17 12.482 -10.526 1.036 1.00 0.00 C ATOM 34 NE ARG A 17 13.187 -11.681 0.437 1.00 0.00 N ATOM 35 CZ ARG A 17 14.527 -11.851 0.434 1.00 0.00 C ATOM 36 NH1 ARG A 17 15.312 -11.052 1.151 1.00 0.00 N ATOM 37 NH2 ARG A 17 15.065 -12.852 -0.247 1.00 0.00 N ATOM 0 H ARG A 17 8.706 -9.010 -0.381 1.00 0.00 H new ATOM 0 HA ARG A 17 8.514 -10.498 2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.555 -8.524 1.052 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.650 -9.350 2.595 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.617 -11.551 1.344 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.696 -10.647 -0.155 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.829 -9.609 0.560 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.743 -10.455 2.092 1.00 0.00 H new ATOM 0 HE ARG A 17 12.619 -12.403 -0.007 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.903 -10.303 1.710 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.323 -11.188 1.142 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.467 -13.493 -0.768 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.077 -12.981 -0.250 1.00 0.00 H new ATOM 51 N GLU A 18 7.695 -7.333 1.758 1.00 0.00 N ATOM 52 CA GLU A 18 7.053 -6.247 2.557 1.00 0.00 C ATOM 53 C GLU A 18 6.304 -5.186 1.764 1.00 0.00 C ATOM 54 O GLU A 18 6.694 -4.845 0.647 1.00 0.00 O ATOM 55 CB GLU A 18 8.075 -5.508 3.445 1.00 0.00 C ATOM 56 CG GLU A 18 9.231 -4.844 2.714 1.00 0.00 C ATOM 57 CD GLU A 18 10.264 -4.271 3.641 1.00 0.00 C ATOM 58 OE1 GLU A 18 10.853 -5.026 4.431 1.00 0.00 O ATOM 59 OE2 GLU A 18 10.523 -3.058 3.581 1.00 0.00 O ATOM 0 H GLU A 18 7.759 -7.175 0.752 1.00 0.00 H new ATOM 0 HA GLU A 18 6.318 -6.797 3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.546 -4.746 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.484 -6.219 4.163 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.705 -5.574 2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.842 -4.049 2.078 1.00 0.00 H new ATOM 66 N ILE A 19 5.204 -4.699 2.357 1.00 0.00 N ATOM 67 CA ILE A 19 4.546 -3.466 1.928 1.00 0.00 C ATOM 68 C ILE A 19 4.573 -2.508 3.096 1.00 0.00 C ATOM 69 O ILE A 19 4.127 -2.833 4.200 1.00 0.00 O ATOM 70 CB ILE A 19 3.069 -3.663 1.447 1.00 0.00 C ATOM 71 CG1 ILE A 19 3.016 -4.244 0.047 1.00 0.00 C ATOM 72 CG2 ILE A 19 2.229 -2.374 1.536 1.00 0.00 C ATOM 73 CD1 ILE A 19 3.437 -3.287 -1.040 1.00 0.00 C ATOM 0 H ILE A 19 4.748 -5.153 3.149 1.00 0.00 H new ATOM 0 HA ILE A 19 5.088 -3.084 1.063 1.00 0.00 H new ATOM 0 HB ILE A 19 2.620 -4.378 2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.657 -5.125 0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.999 -4.581 -0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.216 -2.575 1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.197 -2.031 2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.680 -1.602 0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.369 -3.783 -2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.781 -2.416 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.465 -2.969 -0.867 1.00 0.00 H new ATOM 85 N ARG A 20 5.118 -1.370 2.870 1.00 0.00 N ATOM 86 CA ARG A 20 5.211 -0.348 3.864 1.00 0.00 C ATOM 87 C ARG A 20 4.629 0.939 3.334 1.00 0.00 C ATOM 88 O ARG A 20 5.237 1.642 2.552 1.00 0.00 O ATOM 89 CB ARG A 20 6.652 -0.153 4.324 1.00 0.00 C ATOM 90 CG ARG A 20 7.173 -1.234 5.249 1.00 0.00 C ATOM 91 CD ARG A 20 8.638 -1.028 5.566 1.00 0.00 C ATOM 92 NE ARG A 20 9.048 -1.736 6.785 1.00 0.00 N ATOM 93 CZ ARG A 20 10.304 -2.071 7.091 1.00 0.00 C ATOM 94 NH1 ARG A 20 11.211 -2.194 6.129 1.00 0.00 N ATOM 95 NH2 ARG A 20 10.601 -2.411 8.336 1.00 0.00 N ATOM 0 H ARG A 20 5.523 -1.110 1.971 1.00 0.00 H new ATOM 0 HA ARG A 20 4.634 -0.658 4.735 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.296 -0.104 3.446 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.730 0.809 4.831 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.595 -1.234 6.173 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.033 -2.211 4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.241 -1.374 4.727 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.836 0.037 5.683 1.00 0.00 H new ATOM 0 HE ARG A 20 8.317 -1.992 7.449 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.948 -2.033 5.157 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.170 -2.450 6.362 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.873 -2.415 9.051 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.557 -2.669 8.580 1.00 0.00 H new ATOM 109 N ILE A 21 3.480 1.249 3.772 1.00 0.00 N ATOM 110 CA ILE A 21 2.777 2.410 3.294 1.00 0.00 C ATOM 111 C ILE A 21 3.213 3.614 4.062 1.00 0.00 C ATOM 112 O ILE A 21 3.493 3.515 5.211 1.00 0.00 O ATOM 113 CB ILE A 21 1.262 2.307 3.523 1.00 0.00 C ATOM 114 CG1 ILE A 21 0.874 0.983 4.198 1.00 0.00 C ATOM 115 CG2 ILE A 21 0.504 2.508 2.213 1.00 0.00 C ATOM 116 CD1 ILE A 21 -0.545 0.954 4.686 1.00 0.00 C ATOM 0 H ILE A 21 2.977 0.713 4.479 1.00 0.00 H new ATOM 0 HA ILE A 21 2.997 2.482 2.229 1.00 0.00 H new ATOM 0 HB ILE A 21 0.976 3.106 4.207 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.024 0.166 3.492 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.543 0.803 5.039 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.568 2.431 2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.733 3.494 1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.805 1.743 1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.750 -0.010 5.151 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.695 1.749 5.417 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.222 1.102 3.845 1.00 0.00 H new ATOM 128 N HIS A 22 3.333 4.706 3.412 1.00 0.00 N ATOM 129 CA HIS A 22 3.482 5.967 4.080 1.00 0.00 C ATOM 130 C HIS A 22 2.153 6.682 3.975 1.00 0.00 C ATOM 131 O HIS A 22 1.682 6.953 2.863 1.00 0.00 O ATOM 132 CB HIS A 22 4.573 6.850 3.447 1.00 0.00 C ATOM 133 CG HIS A 22 5.989 6.443 3.701 1.00 0.00 C ATOM 134 ND1 HIS A 22 6.929 6.305 2.701 1.00 0.00 N ATOM 135 CD2 HIS A 22 6.647 6.238 4.858 1.00 0.00 C ATOM 136 CE1 HIS A 22 8.101 6.035 3.244 1.00 0.00 C ATOM 137 NE2 HIS A 22 7.950 5.988 4.547 1.00 0.00 N ATOM 0 H HIS A 22 3.332 4.766 2.394 1.00 0.00 H new ATOM 0 HA HIS A 22 3.781 5.785 5.112 1.00 0.00 H new ATOM 0 HB2 HIS A 22 4.412 6.872 2.369 1.00 0.00 H new ATOM 0 HB3 HIS A 22 4.440 7.869 3.810 1.00 0.00 H new ATOM 0 HD2 HIS A 22 6.221 6.266 5.850 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.026 5.879 2.708 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.691 5.795 5.221 1.00 0.00 H new ATOM 146 N LEU A 23 1.577 6.974 5.109 1.00 0.00 N ATOM 147 CA LEU A 23 0.308 7.662 5.225 1.00 0.00 C ATOM 148 C LEU A 23 0.574 9.187 5.414 1.00 0.00 C ATOM 149 O LEU A 23 1.589 9.706 4.882 1.00 0.00 O ATOM 150 CB LEU A 23 -0.455 7.034 6.440 1.00 0.00 C ATOM 151 CG LEU A 23 -1.892 7.522 6.743 1.00 0.00 C ATOM 152 CD1 LEU A 23 -2.785 7.403 5.526 1.00 0.00 C ATOM 153 CD2 LEU A 23 -2.481 6.757 7.919 1.00 0.00 C ATOM 0 H LEU A 23 1.987 6.734 6.012 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.305 7.551 4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.497 5.956 6.283 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.147 7.203 7.333 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.835 8.577 7.010 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.787 7.754 5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.378 8.008 4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.834 6.361 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.492 7.115 8.116 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.512 5.693 7.682 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.862 6.914 8.802 1.00 0.00 H new ATOM 165 N CYS A 24 -0.295 9.841 6.211 1.00 0.00 N ATOM 166 CA CYS A 24 -0.358 11.275 6.510 1.00 0.00 C ATOM 167 C CYS A 24 -1.369 12.001 5.662 1.00 0.00 C ATOM 168 O CYS A 24 -1.441 11.810 4.463 1.00 0.00 O ATOM 169 CB CYS A 24 0.993 12.015 6.519 1.00 0.00 C ATOM 170 SG CYS A 24 2.127 11.536 7.864 1.00 0.00 S ATOM 0 H CYS A 24 -1.030 9.331 6.700 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.697 11.296 7.546 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.491 11.841 5.565 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.803 13.086 6.589 1.00 0.00 H new ATOM 175 N GLN A 25 -2.193 12.788 6.325 1.00 0.00 N ATOM 176 CA GLN A 25 -3.129 13.682 5.684 1.00 0.00 C ATOM 177 C GLN A 25 -2.495 15.058 5.775 1.00 0.00 C ATOM 178 O GLN A 25 -2.964 15.954 6.484 1.00 0.00 O ATOM 179 CB GLN A 25 -4.494 13.662 6.395 1.00 0.00 C ATOM 180 CG GLN A 25 -5.190 12.302 6.413 1.00 0.00 C ATOM 181 CD GLN A 25 -5.623 11.789 5.037 1.00 0.00 C ATOM 182 OE1 GLN A 25 -5.652 10.588 4.802 1.00 0.00 O ATOM 183 NE2 GLN A 25 -6.007 12.679 4.142 1.00 0.00 N ATOM 0 H GLN A 25 -2.229 12.823 7.344 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.320 13.388 4.652 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.357 13.997 7.423 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.151 14.384 5.909 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.519 11.571 6.864 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.069 12.367 7.055 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.972 13.674 4.365 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -6.339 12.372 3.227 1.00 0.00 H new ATOM 192 N ARG A 26 -1.399 15.176 5.089 1.00 0.00 N ATOM 193 CA ARG A 26 -0.515 16.304 5.190 1.00 0.00 C ATOM 194 C ARG A 26 -0.768 17.251 4.023 1.00 0.00 C ATOM 195 O ARG A 26 -1.162 18.404 4.211 1.00 0.00 O ATOM 196 CB ARG A 26 0.929 15.737 5.157 1.00 0.00 C ATOM 197 CG ARG A 26 2.078 16.644 5.610 1.00 0.00 C ATOM 198 CD ARG A 26 2.333 17.838 4.712 1.00 0.00 C ATOM 199 NE ARG A 26 3.578 18.513 5.092 1.00 0.00 N ATOM 200 CZ ARG A 26 3.752 19.825 5.222 1.00 0.00 C ATOM 201 NH1 ARG A 26 2.734 20.664 5.059 1.00 0.00 N ATOM 202 NH2 ARG A 26 4.959 20.285 5.525 1.00 0.00 N ATOM 0 H ARG A 26 -1.083 14.471 4.423 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.675 16.870 6.108 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.948 14.841 5.778 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.138 15.421 4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.865 17.003 6.617 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.990 16.050 5.670 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.392 17.513 3.673 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.499 18.536 4.781 1.00 0.00 H new ATOM 0 HE ARG A 26 4.388 17.920 5.274 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.807 20.303 4.832 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.880 21.668 5.161 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.735 19.635 5.654 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.111 21.288 5.629 1.00 0.00 H new ATOM 216 N SER A 27 -0.581 16.743 2.845 1.00 0.00 N ATOM 217 CA SER A 27 -0.681 17.504 1.634 1.00 0.00 C ATOM 218 C SER A 27 -2.081 17.259 0.977 1.00 0.00 C ATOM 219 O SER A 27 -2.916 16.618 1.627 1.00 0.00 O ATOM 220 CB SER A 27 0.491 17.066 0.752 1.00 0.00 C ATOM 221 OG SER A 27 1.738 17.346 1.388 1.00 0.00 O ATOM 0 H SER A 27 -0.348 15.762 2.693 1.00 0.00 H new ATOM 0 HA SER A 27 -0.616 18.579 1.801 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.416 15.999 0.544 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.443 17.582 -0.207 1.00 0.00 H new ATOM 0 HG SER A 27 2.473 17.057 0.808 1.00 0.00 H new ATOM 227 N PRO A 28 -2.367 17.808 -0.290 1.00 0.00 N ATOM 228 CA PRO A 28 -3.617 17.652 -1.047 1.00 0.00 C ATOM 229 C PRO A 28 -4.639 16.615 -0.525 1.00 0.00 C ATOM 230 O PRO A 28 -5.655 16.996 0.056 1.00 0.00 O ATOM 231 CB PRO A 28 -3.045 17.320 -2.420 1.00 0.00 C ATOM 232 CG PRO A 28 -1.928 18.320 -2.549 1.00 0.00 C ATOM 233 CD PRO A 28 -1.478 18.655 -1.118 1.00 0.00 C ATOM 0 HA PRO A 28 -4.255 18.534 -0.992 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.681 16.294 -2.472 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.788 17.435 -3.209 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.103 17.907 -3.129 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.267 19.216 -3.069 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.427 18.416 -0.958 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.602 19.714 -0.892 1.00 0.00 H new ATOM 241 N GLY A 29 -4.371 15.343 -0.688 1.00 0.00 N ATOM 242 CA GLY A 29 -5.280 14.357 -0.157 1.00 0.00 C ATOM 243 C GLY A 29 -5.314 13.106 -0.981 1.00 0.00 C ATOM 244 O GLY A 29 -4.947 13.126 -2.152 1.00 0.00 O ATOM 0 H GLY A 29 -3.553 14.972 -1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.986 14.109 0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.282 14.782 -0.106 1.00 0.00 H new ATOM 248 N SER A 30 -5.726 12.015 -0.371 1.00 0.00 N ATOM 249 CA SER A 30 -5.850 10.733 -1.023 1.00 0.00 C ATOM 250 C SER A 30 -6.889 9.876 -0.311 1.00 0.00 C ATOM 251 O SER A 30 -6.662 9.272 0.768 1.00 0.00 O ATOM 252 CB SER A 30 -4.533 10.016 -1.137 1.00 0.00 C ATOM 253 OG SER A 30 -3.592 10.796 -1.853 1.00 0.00 O ATOM 0 H SER A 30 -5.989 11.997 0.614 1.00 0.00 H new ATOM 0 HA SER A 30 -6.188 10.916 -2.043 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.147 9.796 -0.142 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.677 9.060 -1.641 1.00 0.00 H new ATOM 0 HG SER A 30 -4.003 11.647 -2.113 1.00 0.00 H new ATOM 259 N GLN A 31 -7.966 9.754 -0.958 1.00 0.00 N ATOM 260 CA GLN A 31 -9.141 9.204 -0.382 1.00 0.00 C ATOM 261 C GLN A 31 -9.179 7.745 -0.659 1.00 0.00 C ATOM 262 O GLN A 31 -9.611 6.977 0.164 1.00 0.00 O ATOM 263 CB GLN A 31 -10.380 9.932 -0.899 1.00 0.00 C ATOM 264 CG GLN A 31 -10.630 9.768 -2.375 1.00 0.00 C ATOM 265 CD GLN A 31 -11.675 10.699 -2.873 1.00 0.00 C ATOM 266 OE1 GLN A 31 -12.866 10.393 -2.865 1.00 0.00 O ATOM 267 NE2 GLN A 31 -11.248 11.828 -3.334 1.00 0.00 N ATOM 0 H GLN A 31 -8.074 10.037 -1.932 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.130 9.341 0.699 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.252 9.571 -0.353 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.281 10.994 -0.676 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.702 9.940 -2.920 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.933 8.741 -2.579 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.250 12.040 -3.321 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.909 12.507 -3.711 1.00 0.00 H new ATOM 276 N GLY A 32 -8.661 7.362 -1.820 1.00 0.00 N ATOM 277 CA GLY A 32 -8.574 5.978 -2.164 1.00 0.00 C ATOM 278 C GLY A 32 -7.643 5.288 -1.228 1.00 0.00 C ATOM 279 O GLY A 32 -7.893 4.136 -0.797 1.00 0.00 O ATOM 0 H GLY A 32 -8.300 8.002 -2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.561 5.518 -2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.221 5.869 -3.190 1.00 0.00 H new ATOM 283 N VAL A 33 -6.596 6.015 -0.817 1.00 0.00 N ATOM 284 CA VAL A 33 -5.672 5.411 0.102 1.00 0.00 C ATOM 285 C VAL A 33 -6.323 5.326 1.453 1.00 0.00 C ATOM 286 O VAL A 33 -6.310 4.298 2.037 1.00 0.00 O ATOM 287 CB VAL A 33 -4.250 6.070 0.196 1.00 0.00 C ATOM 288 CG1 VAL A 33 -4.237 7.396 0.935 1.00 0.00 C ATOM 289 CG2 VAL A 33 -3.259 5.108 0.828 1.00 0.00 C ATOM 0 H VAL A 33 -6.388 6.973 -1.098 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.456 4.422 -0.301 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.952 6.289 -0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.221 7.789 0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.888 8.104 0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.593 7.248 1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.279 5.581 0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.595 4.847 1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.191 4.205 0.221 1.00 0.00 H new ATOM 299 N ARG A 34 -6.911 6.432 1.924 1.00 0.00 N ATOM 300 CA ARG A 34 -7.642 6.468 3.190 1.00 0.00 C ATOM 301 C ARG A 34 -8.685 5.390 3.256 1.00 0.00 C ATOM 302 O ARG A 34 -8.854 4.750 4.276 1.00 0.00 O ATOM 303 CB ARG A 34 -8.319 7.776 3.386 1.00 0.00 C ATOM 304 CG ARG A 34 -8.568 8.024 4.852 1.00 0.00 C ATOM 305 CD ARG A 34 -9.128 9.388 5.155 1.00 0.00 C ATOM 306 NE ARG A 34 -9.138 9.599 6.605 1.00 0.00 N ATOM 307 CZ ARG A 34 -9.716 10.599 7.257 1.00 0.00 C ATOM 308 NH1 ARG A 34 -10.470 11.487 6.616 1.00 0.00 N ATOM 309 NH2 ARG A 34 -9.555 10.691 8.572 1.00 0.00 N ATOM 0 H ARG A 34 -6.892 7.327 1.435 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.902 6.311 3.975 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.704 8.576 2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.264 7.789 2.843 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.258 7.268 5.226 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.632 7.898 5.396 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.527 10.156 4.669 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.139 9.475 4.757 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.650 8.905 7.171 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.610 11.405 5.609 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.908 12.251 7.131 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.993 9.998 9.067 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.993 11.454 9.087 1.00 0.00 H new ATOM 323 N ASP A 35 -9.381 5.207 2.168 1.00 0.00 N ATOM 324 CA ASP A 35 -10.379 4.135 2.049 1.00 0.00 C ATOM 325 C ASP A 35 -9.746 2.855 2.376 1.00 0.00 C ATOM 326 O ASP A 35 -10.255 2.092 3.216 1.00 0.00 O ATOM 327 CB ASP A 35 -10.981 4.024 0.645 1.00 0.00 C ATOM 328 CG ASP A 35 -12.120 4.942 0.315 1.00 0.00 C ATOM 329 OD1 ASP A 35 -13.128 4.936 1.027 1.00 0.00 O ATOM 330 OD2 ASP A 35 -12.072 5.642 -0.727 1.00 0.00 O ATOM 0 H ASP A 35 -9.287 5.784 1.332 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.187 4.379 2.738 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.185 4.199 -0.079 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.321 2.998 0.503 1.00 0.00 H new ATOM 335 N PHE A 36 -8.652 2.616 1.716 1.00 0.00 N ATOM 336 CA PHE A 36 -7.826 1.500 2.002 1.00 0.00 C ATOM 337 C PHE A 36 -7.498 1.494 3.500 1.00 0.00 C ATOM 338 O PHE A 36 -7.983 0.666 4.199 1.00 0.00 O ATOM 339 CB PHE A 36 -6.600 1.505 1.011 1.00 0.00 C ATOM 340 CG PHE A 36 -5.274 0.910 1.444 1.00 0.00 C ATOM 341 CD1 PHE A 36 -4.527 1.497 2.451 1.00 0.00 C ATOM 342 CD2 PHE A 36 -4.736 -0.177 0.782 1.00 0.00 C ATOM 343 CE1 PHE A 36 -3.300 1.001 2.794 1.00 0.00 C ATOM 344 CE2 PHE A 36 -3.493 -0.661 1.116 1.00 0.00 C ATOM 345 CZ PHE A 36 -2.776 -0.075 2.122 1.00 0.00 C ATOM 0 H PHE A 36 -8.311 3.204 0.955 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.322 0.546 1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.911 0.981 0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.414 2.542 0.730 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.919 2.358 2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.299 -0.652 -0.008 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.741 1.458 3.597 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.082 -1.506 0.583 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.801 -0.457 2.387 1.00 0.00 H new ATOM 355 N ILE A 37 -6.882 2.541 3.950 1.00 0.00 N ATOM 356 CA ILE A 37 -6.375 2.707 5.343 1.00 0.00 C ATOM 357 C ILE A 37 -7.484 2.417 6.410 1.00 0.00 C ATOM 358 O ILE A 37 -7.200 1.885 7.484 1.00 0.00 O ATOM 359 CB ILE A 37 -5.895 4.179 5.647 1.00 0.00 C ATOM 360 CG1 ILE A 37 -5.016 4.852 4.575 1.00 0.00 C ATOM 361 CG2 ILE A 37 -5.214 4.283 7.001 1.00 0.00 C ATOM 362 CD1 ILE A 37 -3.730 4.174 4.241 1.00 0.00 C ATOM 0 H ILE A 37 -6.694 3.354 3.363 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.548 2.000 5.410 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.830 4.739 5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.602 4.940 3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.790 5.865 4.907 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.899 5.312 7.172 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.911 3.983 7.783 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.343 3.629 7.021 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.206 4.745 3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.109 4.110 5.135 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.934 3.170 3.869 1.00 0.00 H new ATOM 374 N GLU A 38 -8.736 2.721 6.089 1.00 0.00 N ATOM 375 CA GLU A 38 -9.791 2.713 7.102 1.00 0.00 C ATOM 376 C GLU A 38 -10.630 1.492 6.975 1.00 0.00 C ATOM 377 O GLU A 38 -10.690 0.638 7.854 1.00 0.00 O ATOM 378 CB GLU A 38 -10.731 3.927 6.927 1.00 0.00 C ATOM 379 CG GLU A 38 -10.107 5.291 7.107 1.00 0.00 C ATOM 380 CD GLU A 38 -9.642 5.539 8.509 1.00 0.00 C ATOM 381 OE1 GLU A 38 -10.430 6.045 9.334 1.00 0.00 O ATOM 382 OE2 GLU A 38 -8.480 5.270 8.812 1.00 0.00 O ATOM 0 H GLU A 38 -9.045 2.973 5.150 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.299 2.746 8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.168 3.880 5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.551 3.830 7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.262 5.391 6.426 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.832 6.056 6.829 1.00 0.00 H new ATOM 389 N LYS A 39 -11.225 1.418 5.843 1.00 0.00 N ATOM 390 CA LYS A 39 -12.256 0.491 5.524 1.00 0.00 C ATOM 391 C LYS A 39 -11.693 -0.791 5.042 1.00 0.00 C ATOM 392 O LYS A 39 -12.227 -1.876 5.305 1.00 0.00 O ATOM 393 CB LYS A 39 -13.033 1.133 4.396 1.00 0.00 C ATOM 394 CG LYS A 39 -13.736 2.422 4.824 1.00 0.00 C ATOM 395 CD LYS A 39 -14.096 3.322 3.653 1.00 0.00 C ATOM 396 CE LYS A 39 -14.983 2.647 2.626 1.00 0.00 C ATOM 397 NZ LYS A 39 -15.343 3.579 1.545 1.00 0.00 N ATOM 0 H LYS A 39 -10.995 2.037 5.066 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.867 0.274 6.400 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.355 1.350 3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.774 0.426 4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.643 2.169 5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.091 2.970 5.511 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.601 4.212 4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.180 3.657 3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.468 1.782 2.208 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.888 2.277 3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.879 3.071 0.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.927 4.349 1.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.478 3.977 1.127 1.00 0.00 H new ATOM 411 N ARG A 40 -10.599 -0.689 4.373 1.00 0.00 N ATOM 412 CA ARG A 40 -10.116 -1.781 3.656 1.00 0.00 C ATOM 413 C ARG A 40 -8.854 -2.353 4.286 1.00 0.00 C ATOM 414 O ARG A 40 -8.473 -3.402 3.949 1.00 0.00 O ATOM 415 CB ARG A 40 -9.876 -1.282 2.236 1.00 0.00 C ATOM 416 CG ARG A 40 -9.426 -2.289 1.236 1.00 0.00 C ATOM 417 CD ARG A 40 -10.484 -3.321 0.899 1.00 0.00 C ATOM 418 NE ARG A 40 -10.025 -4.134 -0.222 1.00 0.00 N ATOM 419 CZ ARG A 40 -10.471 -5.340 -0.571 1.00 0.00 C ATOM 420 NH1 ARG A 40 -11.494 -5.911 0.059 1.00 0.00 N ATOM 421 NH2 ARG A 40 -9.893 -5.956 -1.590 1.00 0.00 N ATOM 0 H ARG A 40 -10.028 0.154 4.317 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.831 -2.603 3.659 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.801 -0.833 1.873 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.131 -0.488 2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.128 -1.774 0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.541 -2.799 1.618 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.681 -3.953 1.765 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.422 -2.827 0.645 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.284 -3.737 -0.800 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.955 -5.425 0.828 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.817 -6.835 -0.227 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.125 -5.507 -2.088 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.216 -6.880 -1.877 1.00 0.00 H new ATOM 435 N TYR A 41 -8.230 -1.625 5.199 1.00 0.00 N ATOM 436 CA TYR A 41 -6.918 -2.030 5.824 1.00 0.00 C ATOM 437 C TYR A 41 -6.822 -3.491 6.267 1.00 0.00 C ATOM 438 O TYR A 41 -6.141 -4.308 5.631 1.00 0.00 O ATOM 439 CB TYR A 41 -6.596 -1.118 6.993 1.00 0.00 C ATOM 440 CG TYR A 41 -5.212 -1.277 7.588 1.00 0.00 C ATOM 441 CD1 TYR A 41 -4.118 -0.603 7.063 1.00 0.00 C ATOM 442 CD2 TYR A 41 -5.010 -2.100 8.685 1.00 0.00 C ATOM 443 CE1 TYR A 41 -2.862 -0.752 7.619 1.00 0.00 C ATOM 444 CE2 TYR A 41 -3.774 -2.256 9.244 1.00 0.00 C ATOM 445 CZ TYR A 41 -2.695 -1.581 8.713 1.00 0.00 C ATOM 446 OH TYR A 41 -1.445 -1.733 9.275 1.00 0.00 O ATOM 0 H TYR A 41 -8.592 -0.737 5.546 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.183 -1.924 5.026 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.715 -0.085 6.667 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.331 -1.291 7.779 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.250 0.046 6.210 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.850 -2.631 9.108 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.017 -0.225 7.202 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.642 -2.905 10.097 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.501 -2.348 10.036 1.00 0.00 H new ATOM 456 N VAL A 42 -7.482 -3.807 7.327 1.00 0.00 N ATOM 457 CA VAL A 42 -7.469 -5.139 7.878 1.00 0.00 C ATOM 458 C VAL A 42 -8.098 -6.128 6.884 1.00 0.00 C ATOM 459 O VAL A 42 -7.739 -7.296 6.819 1.00 0.00 O ATOM 460 CB VAL A 42 -8.168 -5.123 9.253 1.00 0.00 C ATOM 461 CG1 VAL A 42 -9.482 -4.370 9.161 1.00 0.00 C ATOM 462 CG2 VAL A 42 -8.360 -6.524 9.814 1.00 0.00 C ATOM 0 H VAL A 42 -8.057 -3.147 7.850 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.446 -5.480 8.040 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.519 -4.599 9.955 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.967 -4.365 10.137 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.292 -3.344 8.844 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.132 -4.859 8.435 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.856 -6.463 10.783 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.973 -7.109 9.129 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.389 -7.005 9.933 1.00 0.00 H new ATOM 472 N GLU A 43 -8.945 -5.597 6.041 1.00 0.00 N ATOM 473 CA GLU A 43 -9.579 -6.348 5.012 1.00 0.00 C ATOM 474 C GLU A 43 -8.602 -6.617 3.878 1.00 0.00 C ATOM 475 O GLU A 43 -8.749 -7.590 3.222 1.00 0.00 O ATOM 476 CB GLU A 43 -10.827 -5.618 4.525 1.00 0.00 C ATOM 477 CG GLU A 43 -11.703 -6.419 3.589 1.00 0.00 C ATOM 478 CD GLU A 43 -12.971 -5.701 3.246 1.00 0.00 C ATOM 479 OE1 GLU A 43 -13.802 -5.489 4.157 1.00 0.00 O ATOM 480 OE2 GLU A 43 -13.165 -5.346 2.067 1.00 0.00 O ATOM 0 H GLU A 43 -9.212 -4.613 6.058 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.893 -7.313 5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.419 -5.322 5.391 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.521 -4.702 4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.151 -6.635 2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.943 -7.377 4.050 1.00 0.00 H new ATOM 487 N LEU A 44 -7.572 -5.787 3.659 1.00 0.00 N ATOM 488 CA LEU A 44 -6.656 -6.140 2.610 1.00 0.00 C ATOM 489 C LEU A 44 -5.580 -7.002 3.174 1.00 0.00 C ATOM 490 O LEU A 44 -4.927 -7.746 2.456 1.00 0.00 O ATOM 491 CB LEU A 44 -6.093 -4.959 1.825 1.00 0.00 C ATOM 492 CG LEU A 44 -4.971 -4.149 2.429 1.00 0.00 C ATOM 493 CD1 LEU A 44 -3.896 -3.949 1.387 1.00 0.00 C ATOM 494 CD2 LEU A 44 -5.480 -2.811 2.893 1.00 0.00 C ATOM 0 H LEU A 44 -7.373 -4.925 4.167 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.226 -6.694 1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.745 -5.338 0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.918 -4.277 1.619 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.565 -4.682 3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.080 -3.365 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.517 -4.919 1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.313 -3.419 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.659 -2.240 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.895 -2.265 2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.256 -2.958 3.645 1.00 0.00 H new ATOM 506 N LYS A 45 -5.426 -6.927 4.479 1.00 0.00 N ATOM 507 CA LYS A 45 -4.506 -7.785 5.169 1.00 0.00 C ATOM 508 C LYS A 45 -5.057 -9.203 5.167 1.00 0.00 C ATOM 509 O LYS A 45 -4.318 -10.178 5.031 1.00 0.00 O ATOM 510 CB LYS A 45 -4.259 -7.272 6.589 1.00 0.00 C ATOM 511 CG LYS A 45 -3.193 -8.038 7.326 1.00 0.00 C ATOM 512 CD LYS A 45 -2.866 -7.407 8.652 1.00 0.00 C ATOM 513 CE LYS A 45 -1.804 -8.205 9.372 1.00 0.00 C ATOM 514 NZ LYS A 45 -1.418 -7.575 10.636 1.00 0.00 N ATOM 0 H LYS A 45 -5.932 -6.275 5.079 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.543 -7.786 4.659 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.974 -6.221 6.543 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.190 -7.325 7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.526 -9.064 7.484 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.292 -8.086 6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.520 -6.385 8.499 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.765 -7.350 9.266 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.174 -9.212 9.565 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.927 -8.305 8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.688 -8.151 11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.042 -6.624 10.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.250 -7.503 11.256 1.00 0.00 H new ATOM 528 N LYS A 46 -6.363 -9.309 5.289 1.00 0.00 N ATOM 529 CA LYS A 46 -7.021 -10.589 5.219 1.00 0.00 C ATOM 530 C LYS A 46 -7.206 -10.968 3.752 1.00 0.00 C ATOM 531 O LYS A 46 -7.256 -12.156 3.408 1.00 0.00 O ATOM 532 CB LYS A 46 -8.391 -10.523 5.914 1.00 0.00 C ATOM 533 CG LYS A 46 -9.470 -9.805 5.106 1.00 0.00 C ATOM 534 CD LYS A 46 -10.653 -9.382 5.965 1.00 0.00 C ATOM 535 CE LYS A 46 -11.390 -10.584 6.517 1.00 0.00 C ATOM 536 NZ LYS A 46 -11.864 -11.480 5.431 1.00 0.00 N ATOM 0 H LYS A 46 -6.990 -8.518 5.438 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.412 -11.338 5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.727 -11.538 6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.275 -10.018 6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.038 -8.925 4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.820 -10.461 4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.303 -8.758 6.787 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.337 -8.774 5.372 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.733 -11.139 7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.241 -10.249 7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.606 -12.109 5.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.250 -10.908 4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.069 -12.051 5.080 1.00 0.00 H new ATOM 550 N ALA A 47 -7.325 -9.941 2.891 1.00 0.00 N ATOM 551 CA ALA A 47 -7.571 -10.151 1.489 1.00 0.00 C ATOM 552 C ALA A 47 -6.364 -10.745 0.814 1.00 0.00 C ATOM 553 O ALA A 47 -6.475 -11.623 -0.054 1.00 0.00 O ATOM 554 CB ALA A 47 -7.924 -8.867 0.756 1.00 0.00 C ATOM 0 H ALA A 47 -7.251 -8.961 3.162 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.419 -10.834 1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.099 -9.086 -0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.825 -8.435 1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.101 -8.158 0.847 1.00 0.00 H new ATOM 560 N ASN A 48 -5.217 -10.247 1.215 1.00 0.00 N ATOM 561 CA ASN A 48 -3.953 -10.602 0.680 1.00 0.00 C ATOM 562 C ASN A 48 -3.108 -10.972 1.893 1.00 0.00 C ATOM 563 O ASN A 48 -2.416 -10.146 2.464 1.00 0.00 O ATOM 564 CB ASN A 48 -3.291 -9.415 -0.099 1.00 0.00 C ATOM 565 CG ASN A 48 -4.151 -8.754 -1.210 1.00 0.00 C ATOM 566 OD1 ASN A 48 -5.007 -9.387 -1.826 1.00 0.00 O ATOM 567 ND2 ASN A 48 -3.900 -7.460 -1.480 1.00 0.00 N ATOM 0 H ASN A 48 -5.153 -9.552 1.959 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.044 -11.416 -0.039 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.014 -8.646 0.622 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.367 -9.776 -0.551 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.425 -6.980 -2.211 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.184 -6.959 -0.954 1.00 0.00 H new ATOM 574 N PRO A 49 -3.266 -12.204 2.367 1.00 0.00 N ATOM 575 CA PRO A 49 -2.609 -12.707 3.598 1.00 0.00 C ATOM 576 C PRO A 49 -1.117 -12.748 3.448 1.00 0.00 C ATOM 577 O PRO A 49 -0.366 -12.495 4.372 1.00 0.00 O ATOM 578 CB PRO A 49 -3.171 -14.122 3.723 1.00 0.00 C ATOM 579 CG PRO A 49 -3.519 -14.461 2.323 1.00 0.00 C ATOM 580 CD PRO A 49 -4.107 -13.216 1.761 1.00 0.00 C ATOM 0 HA PRO A 49 -2.797 -12.077 4.467 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.437 -14.814 4.136 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.043 -14.155 4.376 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.638 -14.770 1.761 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.229 -15.287 2.282 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.057 -13.193 0.672 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.155 -13.097 2.035 1.00 0.00 H new ATOM 588 N ASP A 50 -0.724 -13.053 2.266 1.00 0.00 N ATOM 589 CA ASP A 50 0.692 -13.117 1.856 1.00 0.00 C ATOM 590 C ASP A 50 1.250 -11.724 1.555 1.00 0.00 C ATOM 591 O ASP A 50 2.286 -11.577 0.892 1.00 0.00 O ATOM 592 CB ASP A 50 0.852 -14.007 0.614 1.00 0.00 C ATOM 593 CG ASP A 50 0.526 -15.455 0.865 1.00 0.00 C ATOM 594 OD1 ASP A 50 -0.658 -15.780 1.103 1.00 0.00 O ATOM 595 OD2 ASP A 50 1.440 -16.307 0.857 1.00 0.00 O ATOM 0 H ASP A 50 -1.372 -13.277 1.511 1.00 0.00 H new ATOM 0 HA ASP A 50 1.253 -13.545 2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.206 -13.630 -0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.878 -13.931 0.253 1.00 0.00 H new ATOM 600 N LEU A 51 0.593 -10.712 2.050 1.00 0.00 N ATOM 601 CA LEU A 51 0.995 -9.364 1.813 1.00 0.00 C ATOM 602 C LEU A 51 1.264 -8.668 3.170 1.00 0.00 C ATOM 603 O LEU A 51 0.326 -8.404 3.925 1.00 0.00 O ATOM 604 CB LEU A 51 -0.144 -8.645 1.025 1.00 0.00 C ATOM 605 CG LEU A 51 0.135 -7.274 0.367 1.00 0.00 C ATOM 606 CD1 LEU A 51 -1.075 -6.783 -0.359 1.00 0.00 C ATOM 607 CD2 LEU A 51 0.581 -6.222 1.331 1.00 0.00 C ATOM 0 H LEU A 51 -0.240 -10.805 2.631 1.00 0.00 H new ATOM 0 HA LEU A 51 1.912 -9.326 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.476 -9.323 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.983 -8.515 1.709 1.00 0.00 H new ATOM 0 HG LEU A 51 0.957 -7.447 -0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.859 -5.817 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.349 -7.498 -1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.902 -6.676 0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.757 -5.289 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.191 -6.068 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.503 -6.541 1.817 1.00 0.00 H new ATOM 619 N PRO A 52 2.550 -8.486 3.547 1.00 0.00 N ATOM 620 CA PRO A 52 2.932 -7.645 4.690 1.00 0.00 C ATOM 621 C PRO A 52 2.409 -6.241 4.572 1.00 0.00 C ATOM 622 O PRO A 52 2.759 -5.538 3.636 1.00 0.00 O ATOM 623 CB PRO A 52 4.412 -7.523 4.557 1.00 0.00 C ATOM 624 CG PRO A 52 4.856 -8.741 3.862 1.00 0.00 C ATOM 625 CD PRO A 52 3.711 -9.181 2.982 1.00 0.00 C ATOM 0 HA PRO A 52 2.555 -8.080 5.616 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.681 -6.631 3.992 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.886 -7.436 5.535 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.748 -8.544 3.267 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.116 -9.521 4.577 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.876 -8.903 1.941 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.581 -10.263 3.006 1.00 0.00 H new ATOM 633 N ILE A 53 1.688 -5.817 5.547 1.00 0.00 N ATOM 634 CA ILE A 53 1.058 -4.506 5.527 1.00 0.00 C ATOM 635 C ILE A 53 1.518 -3.701 6.720 1.00 0.00 C ATOM 636 O ILE A 53 1.028 -3.865 7.851 1.00 0.00 O ATOM 637 CB ILE A 53 -0.500 -4.599 5.470 1.00 0.00 C ATOM 638 CG1 ILE A 53 -0.896 -5.383 4.224 1.00 0.00 C ATOM 639 CG2 ILE A 53 -1.141 -3.203 5.440 1.00 0.00 C ATOM 640 CD1 ILE A 53 -2.363 -5.575 4.030 1.00 0.00 C ATOM 0 H ILE A 53 1.505 -6.356 6.393 1.00 0.00 H new ATOM 0 HA ILE A 53 1.367 -3.997 4.614 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.859 -5.107 6.365 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.495 -4.870 3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.420 -6.363 4.265 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.226 -3.302 5.400 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.859 -2.654 6.338 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.794 -2.662 4.560 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.538 -6.144 3.117 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.774 -6.119 4.881 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.850 -4.603 3.951 1.00 0.00 H new ATOM 652 N LEU A 54 2.499 -2.886 6.475 1.00 0.00 N ATOM 653 CA LEU A 54 3.115 -2.095 7.494 1.00 0.00 C ATOM 654 C LEU A 54 2.818 -0.617 7.242 1.00 0.00 C ATOM 655 O LEU A 54 3.217 -0.062 6.218 1.00 0.00 O ATOM 656 CB LEU A 54 4.621 -2.375 7.482 1.00 0.00 C ATOM 657 CG LEU A 54 5.020 -3.868 7.548 1.00 0.00 C ATOM 658 CD1 LEU A 54 6.520 -4.040 7.475 1.00 0.00 C ATOM 659 CD2 LEU A 54 4.470 -4.529 8.801 1.00 0.00 C ATOM 0 H LEU A 54 2.899 -2.751 5.547 1.00 0.00 H new ATOM 0 HA LEU A 54 2.718 -2.351 8.476 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.046 -1.943 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.076 -1.857 8.326 1.00 0.00 H new ATOM 0 HG LEU A 54 4.580 -4.360 6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.767 -5.100 7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.889 -3.624 6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.987 -3.520 8.311 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.767 -5.578 8.819 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.866 -4.024 9.682 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.382 -4.460 8.801 1.00 0.00 H new ATOM 671 N ILE A 55 2.115 0.003 8.159 1.00 0.00 N ATOM 672 CA ILE A 55 1.694 1.374 8.023 1.00 0.00 C ATOM 673 C ILE A 55 2.724 2.321 8.637 1.00 0.00 C ATOM 674 O ILE A 55 3.133 2.186 9.796 1.00 0.00 O ATOM 675 CB ILE A 55 0.253 1.603 8.629 1.00 0.00 C ATOM 676 CG1 ILE A 55 -0.238 3.064 8.459 1.00 0.00 C ATOM 677 CG2 ILE A 55 0.193 1.188 10.095 1.00 0.00 C ATOM 678 CD1 ILE A 55 -0.291 3.542 7.029 1.00 0.00 C ATOM 0 H ILE A 55 1.817 -0.436 9.030 1.00 0.00 H new ATOM 0 HA ILE A 55 1.628 1.600 6.959 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.423 0.965 8.060 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.233 3.153 8.896 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.419 3.723 9.025 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.812 1.359 10.481 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.441 0.130 10.184 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.907 1.778 10.670 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.645 4.573 7.003 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.706 3.489 6.591 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.972 2.910 6.459 1.00 0.00 H new ATOM 690 N ARG A 56 3.186 3.203 7.828 1.00 0.00 N ATOM 691 CA ARG A 56 4.135 4.237 8.195 1.00 0.00 C ATOM 692 C ARG A 56 3.510 5.577 7.878 1.00 0.00 C ATOM 693 O ARG A 56 2.487 5.628 7.219 1.00 0.00 O ATOM 694 CB ARG A 56 5.452 4.075 7.423 1.00 0.00 C ATOM 695 CG ARG A 56 6.117 2.718 7.659 1.00 0.00 C ATOM 696 CD ARG A 56 7.530 2.638 7.109 1.00 0.00 C ATOM 697 NE ARG A 56 7.602 2.722 5.639 1.00 0.00 N ATOM 698 CZ ARG A 56 8.761 2.674 4.940 1.00 0.00 C ATOM 699 NH1 ARG A 56 9.915 2.492 5.566 1.00 0.00 N ATOM 700 NH2 ARG A 56 8.751 2.770 3.619 1.00 0.00 N ATOM 0 H ARG A 56 2.913 3.242 6.846 1.00 0.00 H new ATOM 0 HA ARG A 56 4.366 4.162 9.258 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.260 4.200 6.357 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.140 4.867 7.718 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.139 2.513 8.729 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.510 1.939 7.198 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.124 3.445 7.539 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.983 1.701 7.433 1.00 0.00 H new ATOM 0 HE ARG A 56 6.730 2.822 5.119 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.934 2.387 6.580 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.784 2.457 5.033 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.867 2.881 3.122 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.627 2.733 3.098 1.00 0.00 H new ATOM 714 N GLU A 57 4.125 6.647 8.294 1.00 0.00 N ATOM 715 CA GLU A 57 3.531 7.971 8.128 1.00 0.00 C ATOM 716 C GLU A 57 4.489 8.966 7.463 1.00 0.00 C ATOM 717 O GLU A 57 5.652 9.062 7.858 1.00 0.00 O ATOM 718 CB GLU A 57 3.056 8.578 9.478 1.00 0.00 C ATOM 719 CG GLU A 57 1.865 7.905 10.186 1.00 0.00 C ATOM 720 CD GLU A 57 2.173 6.553 10.797 1.00 0.00 C ATOM 721 OE1 GLU A 57 3.090 6.453 11.628 1.00 0.00 O ATOM 722 OE2 GLU A 57 1.494 5.570 10.477 1.00 0.00 O ATOM 0 H GLU A 57 5.037 6.644 8.752 1.00 0.00 H new ATOM 0 HA GLU A 57 2.670 7.813 7.478 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.902 8.571 10.165 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.796 9.622 9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.504 8.569 10.971 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.053 7.788 9.469 1.00 0.00 H new ATOM 729 N CYS A 58 3.983 9.687 6.453 1.00 0.00 N ATOM 730 CA CYS A 58 4.674 10.827 5.803 1.00 0.00 C ATOM 731 C CYS A 58 5.885 10.452 4.924 1.00 0.00 C ATOM 732 O CYS A 58 6.498 9.403 5.115 1.00 0.00 O ATOM 733 CB CYS A 58 5.068 11.902 6.844 1.00 0.00 C ATOM 734 SG CYS A 58 3.679 12.831 7.642 1.00 0.00 S ATOM 0 H CYS A 58 3.065 9.497 6.052 1.00 0.00 H new ATOM 0 HA CYS A 58 3.938 11.234 5.109 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.650 11.419 7.629 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.725 12.623 6.357 1.00 0.00 H new ATOM 739 N SER A 59 6.147 11.325 3.911 1.00 0.00 N ATOM 740 CA SER A 59 7.324 11.287 3.004 1.00 0.00 C ATOM 741 C SER A 59 7.105 12.228 1.794 1.00 0.00 C ATOM 742 O SER A 59 7.730 13.287 1.706 1.00 0.00 O ATOM 743 CB SER A 59 7.735 9.867 2.544 1.00 0.00 C ATOM 744 OG SER A 59 6.711 9.195 1.830 1.00 0.00 O ATOM 0 H SER A 59 5.520 12.101 3.698 1.00 0.00 H new ATOM 0 HA SER A 59 8.167 11.645 3.595 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.622 9.938 1.914 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.010 9.274 3.417 1.00 0.00 H new ATOM 0 HG SER A 59 6.781 8.230 1.988 1.00 0.00 H new ATOM 750 N ASP A 60 6.197 11.856 0.886 1.00 0.00 N ATOM 751 CA ASP A 60 5.862 12.671 -0.265 1.00 0.00 C ATOM 752 C ASP A 60 4.502 13.207 0.006 1.00 0.00 C ATOM 753 O ASP A 60 4.056 13.098 1.154 1.00 0.00 O ATOM 754 CB ASP A 60 5.840 11.840 -1.557 1.00 0.00 C ATOM 755 CG ASP A 60 7.182 11.299 -1.962 1.00 0.00 C ATOM 756 OD1 ASP A 60 7.974 12.033 -2.587 1.00 0.00 O ATOM 757 OD2 ASP A 60 7.465 10.125 -1.684 1.00 0.00 O ATOM 0 H ASP A 60 5.678 10.979 0.937 1.00 0.00 H new ATOM 0 HA ASP A 60 6.602 13.458 -0.408 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.148 11.007 -1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.450 12.457 -2.366 1.00 0.00 H new ATOM 762 N VAL A 61 3.819 13.708 -1.020 1.00 0.00 N ATOM 763 CA VAL A 61 2.486 14.311 -0.881 1.00 0.00 C ATOM 764 C VAL A 61 1.553 13.533 0.055 1.00 0.00 C ATOM 765 O VAL A 61 1.217 14.036 1.121 1.00 0.00 O ATOM 766 CB VAL A 61 1.777 14.573 -2.270 1.00 0.00 C ATOM 767 CG1 VAL A 61 0.309 14.956 -2.101 1.00 0.00 C ATOM 768 CG2 VAL A 61 2.467 15.683 -3.025 1.00 0.00 C ATOM 0 H VAL A 61 4.171 13.710 -1.977 1.00 0.00 H new ATOM 0 HA VAL A 61 2.678 15.277 -0.415 1.00 0.00 H new ATOM 0 HB VAL A 61 1.841 13.638 -2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.138 15.127 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.222 14.149 -1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.237 15.866 -1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.961 15.845 -3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.433 16.599 -2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.506 15.408 -3.208 1.00 0.00 H new ATOM 778 N GLN A 62 1.233 12.285 -0.264 1.00 0.00 N ATOM 779 CA GLN A 62 0.147 11.618 0.487 1.00 0.00 C ATOM 780 C GLN A 62 0.253 10.090 0.662 1.00 0.00 C ATOM 781 O GLN A 62 0.599 9.643 1.735 1.00 0.00 O ATOM 782 CB GLN A 62 -1.273 12.029 0.011 1.00 0.00 C ATOM 783 CG GLN A 62 -1.774 13.404 0.383 1.00 0.00 C ATOM 784 CD GLN A 62 -2.019 13.532 1.852 1.00 0.00 C ATOM 785 OE1 GLN A 62 -1.164 13.964 2.610 1.00 0.00 O ATOM 786 NE2 GLN A 62 -3.172 13.105 2.267 1.00 0.00 N ATOM 0 H GLN A 62 1.675 11.728 -0.995 1.00 0.00 H new ATOM 0 HA GLN A 62 0.307 12.013 1.490 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.298 11.947 -1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.981 11.298 0.402 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.046 14.152 0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.697 13.612 -0.158 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.856 12.752 1.598 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.394 13.122 3.262 1.00 0.00 H new ATOM 795 N PRO A 63 -0.025 9.266 -0.345 1.00 0.00 N ATOM 796 CA PRO A 63 -0.104 7.838 -0.170 1.00 0.00 C ATOM 797 C PRO A 63 1.013 7.095 -0.864 1.00 0.00 C ATOM 798 O PRO A 63 0.942 6.822 -2.039 1.00 0.00 O ATOM 799 CB PRO A 63 -1.394 7.574 -0.887 1.00 0.00 C ATOM 800 CG PRO A 63 -1.445 8.603 -1.993 1.00 0.00 C ATOM 801 CD PRO A 63 -0.344 9.594 -1.725 1.00 0.00 C ATOM 0 HA PRO A 63 -0.039 7.521 0.871 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.422 6.561 -1.289 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.247 7.674 -0.215 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.310 8.130 -2.966 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.415 9.100 -2.012 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.508 9.458 -2.391 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.677 10.625 -1.840 1.00 0.00 H new ATOM 809 N LYS A 64 2.016 6.765 -0.174 1.00 0.00 N ATOM 810 CA LYS A 64 3.154 6.184 -0.846 1.00 0.00 C ATOM 811 C LYS A 64 3.229 4.709 -0.522 1.00 0.00 C ATOM 812 O LYS A 64 3.099 4.315 0.646 1.00 0.00 O ATOM 813 CB LYS A 64 4.468 6.889 -0.443 1.00 0.00 C ATOM 814 CG LYS A 64 4.658 8.390 -0.800 1.00 0.00 C ATOM 815 CD LYS A 64 3.661 9.381 -0.125 1.00 0.00 C ATOM 816 CE LYS A 64 3.801 9.411 1.404 1.00 0.00 C ATOM 817 NZ LYS A 64 3.048 10.519 2.061 1.00 0.00 N ATOM 0 H LYS A 64 2.102 6.872 0.837 1.00 0.00 H new ATOM 0 HA LYS A 64 3.026 6.317 -1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.576 6.791 0.637 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.291 6.336 -0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.672 8.683 -0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.574 8.500 -1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.827 10.383 -0.521 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.641 9.099 -0.387 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.455 8.460 1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.857 9.501 1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.503 10.760 2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.047 11.354 1.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.068 10.217 2.236 1.00 0.00 H new ATOM 831 N LEU A 65 3.475 3.918 -1.534 1.00 0.00 N ATOM 832 CA LEU A 65 3.453 2.489 -1.406 1.00 0.00 C ATOM 833 C LEU A 65 4.832 1.945 -1.429 1.00 0.00 C ATOM 834 O LEU A 65 5.422 1.865 -2.493 1.00 0.00 O ATOM 835 CB LEU A 65 2.748 1.920 -2.606 1.00 0.00 C ATOM 836 CG LEU A 65 2.240 0.474 -2.493 1.00 0.00 C ATOM 837 CD1 LEU A 65 1.312 0.303 -1.298 1.00 0.00 C ATOM 838 CD2 LEU A 65 1.547 0.065 -3.781 1.00 0.00 C ATOM 0 H LEU A 65 3.697 4.251 -2.472 1.00 0.00 H new ATOM 0 HA LEU A 65 2.959 2.229 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.897 2.562 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.427 1.975 -3.457 1.00 0.00 H new ATOM 0 HG LEU A 65 3.098 -0.179 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.971 -0.731 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.848 0.554 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.452 0.964 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.190 -0.961 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.702 0.728 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.251 0.134 -4.611 1.00 0.00 H new ATOM 850 N TRP A 66 5.382 1.620 -0.314 1.00 0.00 N ATOM 851 CA TRP A 66 6.644 0.976 -0.364 1.00 0.00 C ATOM 852 C TRP A 66 6.421 -0.521 -0.477 1.00 0.00 C ATOM 853 O TRP A 66 5.576 -1.074 0.211 1.00 0.00 O ATOM 854 CB TRP A 66 7.556 1.299 0.847 1.00 0.00 C ATOM 855 CG TRP A 66 8.712 0.345 0.977 1.00 0.00 C ATOM 856 CD1 TRP A 66 8.797 -0.758 1.780 1.00 0.00 C ATOM 857 CD2 TRP A 66 9.893 0.382 0.233 1.00 0.00 C ATOM 858 NE1 TRP A 66 9.974 -1.407 1.560 1.00 0.00 N ATOM 859 CE2 TRP A 66 10.675 -0.714 0.610 1.00 0.00 C ATOM 860 CE3 TRP A 66 10.364 1.237 -0.713 1.00 0.00 C ATOM 861 CZ2 TRP A 66 11.906 -0.949 0.040 1.00 0.00 C ATOM 862 CZ3 TRP A 66 11.565 1.005 -1.270 1.00 0.00 C ATOM 863 CH2 TRP A 66 12.322 -0.060 -0.909 1.00 0.00 C ATOM 0 H TRP A 66 4.994 1.782 0.615 1.00 0.00 H new ATOM 0 HA TRP A 66 7.172 1.357 -1.238 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.939 2.315 0.747 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.963 1.270 1.761 1.00 0.00 H new ATOM 0 HD1 TRP A 66 8.041 -1.069 2.486 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.281 -2.262 2.023 1.00 0.00 H new ATOM 0 HE3 TRP A 66 9.779 2.094 -1.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.512 -1.795 0.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 11.936 1.684 -2.024 1.00 0.00 H new ATOM 0 HH2 TRP A 66 13.280 -0.209 -1.385 1.00 0.00 H new ATOM 874 N ALA A 67 7.163 -1.138 -1.325 1.00 0.00 N ATOM 875 CA ALA A 67 7.130 -2.540 -1.505 1.00 0.00 C ATOM 876 C ALA A 67 8.532 -3.037 -1.680 1.00 0.00 C ATOM 877 O ALA A 67 9.337 -2.393 -2.365 1.00 0.00 O ATOM 878 CB ALA A 67 6.324 -2.887 -2.737 1.00 0.00 C ATOM 0 H ALA A 67 7.831 -0.663 -1.932 1.00 0.00 H new ATOM 0 HA ALA A 67 6.668 -3.006 -0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.305 -3.969 -2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.305 -2.517 -2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.780 -2.425 -3.612 1.00 0.00 H new ATOM 884 N ARG A 68 8.837 -4.139 -1.057 1.00 0.00 N ATOM 885 CA ARG A 68 10.062 -4.795 -1.252 1.00 0.00 C ATOM 886 C ARG A 68 9.671 -6.228 -1.469 1.00 0.00 C ATOM 887 O ARG A 68 9.336 -6.979 -0.546 1.00 0.00 O ATOM 888 CB ARG A 68 11.023 -4.666 -0.074 1.00 0.00 C ATOM 889 CG ARG A 68 12.450 -5.009 -0.450 1.00 0.00 C ATOM 890 CD ARG A 68 13.162 -3.819 -1.104 1.00 0.00 C ATOM 891 NE ARG A 68 14.403 -4.208 -1.779 1.00 0.00 N ATOM 892 CZ ARG A 68 15.440 -3.396 -2.035 1.00 0.00 C ATOM 893 NH1 ARG A 68 15.545 -2.226 -1.414 1.00 0.00 N ATOM 894 NH2 ARG A 68 16.415 -3.802 -2.845 1.00 0.00 N ATOM 0 H ARG A 68 8.218 -4.601 -0.391 1.00 0.00 H new ATOM 0 HA ARG A 68 10.610 -4.357 -2.086 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.987 -3.647 0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.695 -5.322 0.732 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.998 -5.317 0.441 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.453 -5.857 -1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.492 -3.351 -1.825 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.385 -3.071 -0.343 1.00 0.00 H new ATOM 0 HE ARG A 68 14.486 -5.179 -2.080 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.835 -1.941 -0.739 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.335 -1.612 -1.612 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.373 -4.728 -3.270 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.204 -3.187 -3.041 1.00 0.00 H new ATOM 908 N TYR A 69 9.570 -6.527 -2.677 1.00 0.00 N ATOM 909 CA TYR A 69 9.121 -7.820 -3.163 1.00 0.00 C ATOM 910 C TYR A 69 10.227 -8.866 -2.989 1.00 0.00 C ATOM 911 O TYR A 69 11.398 -8.531 -2.956 1.00 0.00 O ATOM 912 CB TYR A 69 8.818 -7.740 -4.669 1.00 0.00 C ATOM 913 CG TYR A 69 7.963 -6.577 -5.122 1.00 0.00 C ATOM 914 CD1 TYR A 69 6.607 -6.603 -4.975 1.00 0.00 C ATOM 915 CD2 TYR A 69 8.531 -5.464 -5.732 1.00 0.00 C ATOM 916 CE1 TYR A 69 5.822 -5.562 -5.416 1.00 0.00 C ATOM 917 CE2 TYR A 69 7.754 -4.411 -6.173 1.00 0.00 C ATOM 918 CZ TYR A 69 6.392 -4.473 -6.011 1.00 0.00 C ATOM 919 OH TYR A 69 5.596 -3.452 -6.454 1.00 0.00 O ATOM 0 H TYR A 69 9.799 -5.874 -3.426 1.00 0.00 H new ATOM 0 HA TYR A 69 8.232 -8.097 -2.597 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.765 -7.697 -5.206 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.324 -8.664 -4.968 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.141 -7.456 -4.504 1.00 0.00 H new ATOM 0 HD2 TYR A 69 9.602 -5.422 -5.864 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.750 -5.607 -5.291 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.211 -3.551 -6.639 1.00 0.00 H new ATOM 0 HH TYR A 69 6.154 -2.751 -6.852 1.00 0.00 H new ATOM 929 N ALA A 70 9.841 -10.137 -2.938 1.00 0.00 N ATOM 930 CA ALA A 70 10.808 -11.252 -2.896 1.00 0.00 C ATOM 931 C ALA A 70 11.220 -11.642 -4.295 1.00 0.00 C ATOM 932 O ALA A 70 11.891 -12.631 -4.508 1.00 0.00 O ATOM 933 CB ALA A 70 10.259 -12.431 -2.128 1.00 0.00 C ATOM 0 H ALA A 70 8.864 -10.431 -2.924 1.00 0.00 H new ATOM 0 HA ALA A 70 11.697 -10.914 -2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.997 -13.233 -2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.038 -12.128 -1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.346 -12.784 -2.607 1.00 0.00 H new ATOM 939 N PHE A 71 10.814 -10.831 -5.241 1.00 0.00 N ATOM 940 CA PHE A 71 11.370 -10.888 -6.566 1.00 0.00 C ATOM 941 C PHE A 71 12.663 -10.072 -6.513 1.00 0.00 C ATOM 942 O PHE A 71 13.383 -9.928 -7.497 1.00 0.00 O ATOM 943 CB PHE A 71 10.408 -10.286 -7.593 1.00 0.00 C ATOM 944 CG PHE A 71 9.101 -11.013 -7.720 1.00 0.00 C ATOM 945 CD1 PHE A 71 9.013 -12.169 -8.476 1.00 0.00 C ATOM 946 CD2 PHE A 71 7.962 -10.546 -7.083 1.00 0.00 C ATOM 947 CE1 PHE A 71 7.817 -12.845 -8.598 1.00 0.00 C ATOM 948 CE2 PHE A 71 6.764 -11.216 -7.201 1.00 0.00 C ATOM 949 CZ PHE A 71 6.691 -12.369 -7.958 1.00 0.00 C ATOM 0 H PHE A 71 10.095 -10.119 -5.114 1.00 0.00 H new ATOM 0 HA PHE A 71 11.551 -11.919 -6.870 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.208 -9.249 -7.321 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.898 -10.272 -8.567 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.892 -12.547 -8.977 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.014 -9.647 -6.487 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.762 -13.745 -9.193 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.883 -10.840 -6.702 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.754 -12.897 -8.049 1.00 0.00 H new ATOM 959 N GLY A 72 12.894 -9.510 -5.320 1.00 0.00 N ATOM 960 CA GLY A 72 14.054 -8.752 -5.004 1.00 0.00 C ATOM 961 C GLY A 72 14.067 -7.434 -5.722 1.00 0.00 C ATOM 962 O GLY A 72 15.085 -6.983 -6.268 1.00 0.00 O ATOM 0 H GLY A 72 12.241 -9.588 -4.540 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.095 -8.581 -3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.945 -9.321 -5.271 1.00 0.00 H new ATOM 966 N GLN A 73 12.915 -6.824 -5.724 1.00 0.00 N ATOM 967 CA GLN A 73 12.671 -5.559 -6.355 1.00 0.00 C ATOM 968 C GLN A 73 11.920 -4.696 -5.378 1.00 0.00 C ATOM 969 O GLN A 73 11.370 -5.213 -4.394 1.00 0.00 O ATOM 970 CB GLN A 73 11.850 -5.750 -7.625 1.00 0.00 C ATOM 971 CG GLN A 73 12.558 -6.544 -8.706 1.00 0.00 C ATOM 972 CD GLN A 73 11.671 -6.796 -9.882 1.00 0.00 C ATOM 973 OE1 GLN A 73 11.612 -5.996 -10.805 1.00 0.00 O ATOM 974 NE2 GLN A 73 11.005 -7.914 -9.876 1.00 0.00 N ATOM 0 H GLN A 73 12.088 -7.210 -5.268 1.00 0.00 H new ATOM 0 HA GLN A 73 13.614 -5.088 -6.633 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.918 -6.254 -7.370 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.584 -4.771 -8.024 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.447 -6.003 -9.031 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.896 -7.495 -8.295 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.085 -8.551 -9.084 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.403 -8.153 -10.664 1.00 0.00 H new ATOM 983 N GLU A 74 11.875 -3.432 -5.620 1.00 0.00 N ATOM 984 CA GLU A 74 11.204 -2.538 -4.734 1.00 0.00 C ATOM 985 C GLU A 74 10.323 -1.555 -5.501 1.00 0.00 C ATOM 986 O GLU A 74 10.256 -1.584 -6.740 1.00 0.00 O ATOM 987 CB GLU A 74 12.223 -1.748 -3.885 1.00 0.00 C ATOM 988 CG GLU A 74 13.034 -0.676 -4.636 1.00 0.00 C ATOM 989 CD GLU A 74 14.034 -1.215 -5.642 1.00 0.00 C ATOM 990 OE1 GLU A 74 13.634 -1.692 -6.723 1.00 0.00 O ATOM 991 OE2 GLU A 74 15.248 -1.123 -5.392 1.00 0.00 O ATOM 0 H GLU A 74 12.300 -2.987 -6.434 1.00 0.00 H new ATOM 0 HA GLU A 74 10.573 -3.141 -4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.689 -1.265 -3.067 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.920 -2.456 -3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.340 -0.015 -5.155 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.568 -0.068 -3.906 1.00 0.00 H new ATOM 998 N THR A 75 9.618 -0.755 -4.755 1.00 0.00 N ATOM 999 CA THR A 75 8.903 0.380 -5.251 1.00 0.00 C ATOM 1000 C THR A 75 8.463 1.160 -4.030 1.00 0.00 C ATOM 1001 O THR A 75 8.353 0.588 -2.962 1.00 0.00 O ATOM 1002 CB THR A 75 7.684 0.021 -6.180 1.00 0.00 C ATOM 1003 OG1 THR A 75 7.271 1.193 -6.916 1.00 0.00 O ATOM 1004 CG2 THR A 75 6.493 -0.498 -5.387 1.00 0.00 C ATOM 0 H THR A 75 9.523 -0.882 -3.747 1.00 0.00 H new ATOM 0 HA THR A 75 9.555 0.964 -5.900 1.00 0.00 H new ATOM 0 HB THR A 75 8.015 -0.766 -6.858 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.513 0.966 -7.495 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.676 -0.733 -6.069 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.782 -1.398 -4.844 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.167 0.264 -4.679 1.00 0.00 H new ATOM 1012 N ASN A 76 8.340 2.431 -4.160 1.00 0.00 N ATOM 1013 CA ASN A 76 7.927 3.311 -3.077 1.00 0.00 C ATOM 1014 C ASN A 76 7.112 4.428 -3.660 1.00 0.00 C ATOM 1015 O ASN A 76 7.674 5.416 -4.110 1.00 0.00 O ATOM 1016 CB ASN A 76 9.163 3.839 -2.294 1.00 0.00 C ATOM 1017 CG ASN A 76 10.390 4.146 -3.180 1.00 0.00 C ATOM 1018 OD1 ASN A 76 10.531 5.244 -3.719 1.00 0.00 O ATOM 1019 ND2 ASN A 76 11.325 3.196 -3.287 1.00 0.00 N ATOM 0 H ASN A 76 8.523 2.921 -5.036 1.00 0.00 H new ATOM 0 HA ASN A 76 7.316 2.764 -2.359 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.880 4.745 -1.759 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.446 3.101 -1.544 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.174 3.374 -3.823 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.189 2.293 -2.833 1.00 0.00 H new ATOM 1026 N VAL A 77 5.770 4.294 -3.723 1.00 0.00 N ATOM 1027 CA VAL A 77 5.088 5.298 -4.557 1.00 0.00 C ATOM 1028 C VAL A 77 3.670 5.736 -4.286 1.00 0.00 C ATOM 1029 O VAL A 77 2.799 4.945 -3.971 1.00 0.00 O ATOM 1030 CB VAL A 77 5.331 4.991 -6.022 1.00 0.00 C ATOM 1031 CG1 VAL A 77 4.980 3.547 -6.378 1.00 0.00 C ATOM 1032 CG2 VAL A 77 4.739 5.978 -7.027 1.00 0.00 C ATOM 0 H VAL A 77 5.194 3.588 -3.265 1.00 0.00 H new ATOM 0 HA VAL A 77 5.575 6.212 -4.218 1.00 0.00 H new ATOM 0 HB VAL A 77 6.408 5.125 -6.126 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.171 3.377 -7.438 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.592 2.867 -5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.926 3.366 -6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.978 5.654 -8.040 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.657 6.017 -6.904 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.159 6.969 -6.855 1.00 0.00 H new ATOM 1042 N PRO A 78 3.507 7.081 -4.354 1.00 0.00 N ATOM 1043 CA PRO A 78 2.239 7.791 -4.372 1.00 0.00 C ATOM 1044 C PRO A 78 1.243 7.130 -5.281 1.00 0.00 C ATOM 1045 O PRO A 78 1.374 7.111 -6.504 1.00 0.00 O ATOM 1046 CB PRO A 78 2.629 9.164 -4.882 1.00 0.00 C ATOM 1047 CG PRO A 78 3.986 9.355 -4.313 1.00 0.00 C ATOM 1048 CD PRO A 78 4.630 8.008 -4.375 1.00 0.00 C ATOM 0 HA PRO A 78 1.750 7.815 -3.398 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.638 9.203 -5.971 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.936 9.933 -4.542 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.553 10.089 -4.885 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.935 9.720 -3.287 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.227 7.892 -5.280 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.298 7.845 -3.529 1.00 0.00 H new ATOM 1056 N LEU A 79 0.303 6.549 -4.654 1.00 0.00 N ATOM 1057 CA LEU A 79 -0.726 5.801 -5.267 1.00 0.00 C ATOM 1058 C LEU A 79 -2.065 6.578 -5.173 1.00 0.00 C ATOM 1059 O LEU A 79 -3.157 6.020 -5.235 1.00 0.00 O ATOM 1060 CB LEU A 79 -0.702 4.412 -4.571 1.00 0.00 C ATOM 1061 CG LEU A 79 -0.861 4.331 -3.023 1.00 0.00 C ATOM 1062 CD1 LEU A 79 -2.222 4.782 -2.556 1.00 0.00 C ATOM 1063 CD2 LEU A 79 -0.659 2.911 -2.576 1.00 0.00 C ATOM 0 H LEU A 79 0.221 6.581 -3.638 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.591 5.646 -6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.496 3.810 -5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.243 3.933 -4.829 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.114 4.997 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.278 4.705 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.385 5.817 -2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.988 4.150 -3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.770 2.851 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.401 2.270 -3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.341 2.580 -2.857 1.00 0.00 H new ATOM 1075 N ASN A 80 -1.905 7.896 -5.099 1.00 0.00 N ATOM 1076 CA ASN A 80 -2.985 8.910 -4.898 1.00 0.00 C ATOM 1077 C ASN A 80 -4.263 8.684 -5.673 1.00 0.00 C ATOM 1078 O ASN A 80 -5.349 8.655 -5.088 1.00 0.00 O ATOM 1079 CB ASN A 80 -2.422 10.351 -5.112 1.00 0.00 C ATOM 1080 CG ASN A 80 -3.454 11.512 -5.175 1.00 0.00 C ATOM 1081 OD1 ASN A 80 -3.215 12.506 -5.848 1.00 0.00 O ATOM 1082 ND2 ASN A 80 -4.565 11.412 -4.487 1.00 0.00 N ATOM 0 H ASN A 80 -0.984 8.326 -5.179 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.299 8.785 -3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.722 10.564 -4.304 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.850 10.356 -6.040 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.247 12.170 -4.507 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.747 10.576 -3.932 1.00 0.00 H new ATOM 1089 N ASN A 81 -4.140 8.495 -6.917 1.00 0.00 N ATOM 1090 CA ASN A 81 -5.308 8.427 -7.808 1.00 0.00 C ATOM 1091 C ASN A 81 -5.940 7.047 -7.895 1.00 0.00 C ATOM 1092 O ASN A 81 -6.737 6.779 -8.802 1.00 0.00 O ATOM 1093 CB ASN A 81 -4.971 8.954 -9.212 1.00 0.00 C ATOM 1094 CG ASN A 81 -4.678 10.440 -9.225 1.00 0.00 C ATOM 1095 OD1 ASN A 81 -5.203 11.197 -8.405 1.00 0.00 O ATOM 1096 ND2 ASN A 81 -3.867 10.877 -10.152 1.00 0.00 N ATOM 0 H ASN A 81 -3.243 8.378 -7.389 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.056 9.076 -7.352 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.107 8.414 -9.600 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.805 8.747 -9.883 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.651 11.872 -10.213 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.450 10.223 -10.814 1.00 0.00 H new ATOM 1103 N PHE A 82 -5.654 6.194 -6.950 1.00 0.00 N ATOM 1104 CA PHE A 82 -6.208 4.876 -6.948 1.00 0.00 C ATOM 1105 C PHE A 82 -7.082 4.687 -5.722 1.00 0.00 C ATOM 1106 O PHE A 82 -6.728 5.092 -4.613 1.00 0.00 O ATOM 1107 CB PHE A 82 -5.104 3.814 -7.039 1.00 0.00 C ATOM 1108 CG PHE A 82 -4.186 3.984 -8.230 1.00 0.00 C ATOM 1109 CD1 PHE A 82 -4.632 3.721 -9.515 1.00 0.00 C ATOM 1110 CD2 PHE A 82 -2.883 4.421 -8.058 1.00 0.00 C ATOM 1111 CE1 PHE A 82 -3.796 3.885 -10.603 1.00 0.00 C ATOM 1112 CE2 PHE A 82 -2.043 4.590 -9.140 1.00 0.00 C ATOM 1113 CZ PHE A 82 -2.500 4.321 -10.415 1.00 0.00 C ATOM 0 H PHE A 82 -5.034 6.395 -6.166 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.835 4.752 -7.831 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.509 3.844 -6.127 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.565 2.828 -7.086 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.646 3.383 -9.668 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.519 4.632 -7.063 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.156 3.672 -11.599 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.030 4.932 -8.990 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.845 4.452 -11.263 1.00 0.00 H new ATOM 1123 N SER A 83 -8.228 4.131 -5.959 1.00 0.00 N ATOM 1124 CA SER A 83 -9.256 3.895 -4.960 1.00 0.00 C ATOM 1125 C SER A 83 -8.952 2.649 -4.084 1.00 0.00 C ATOM 1126 O SER A 83 -8.074 1.866 -4.427 1.00 0.00 O ATOM 1127 CB SER A 83 -10.550 3.723 -5.706 1.00 0.00 C ATOM 1128 OG SER A 83 -10.830 4.866 -6.495 1.00 0.00 O ATOM 0 H SER A 83 -8.497 3.811 -6.889 1.00 0.00 H new ATOM 0 HA SER A 83 -9.304 4.736 -4.269 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.493 2.840 -6.343 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.363 3.555 -5.000 1.00 0.00 H new ATOM 0 HG SER A 83 -11.675 4.734 -6.974 1.00 0.00 H new ATOM 1134 N ALA A 84 -9.746 2.454 -2.998 1.00 0.00 N ATOM 1135 CA ALA A 84 -9.538 1.389 -1.991 1.00 0.00 C ATOM 1136 C ALA A 84 -9.365 -0.002 -2.625 1.00 0.00 C ATOM 1137 O ALA A 84 -8.348 -0.707 -2.416 1.00 0.00 O ATOM 1138 CB ALA A 84 -10.732 1.328 -1.066 1.00 0.00 C ATOM 0 H ALA A 84 -10.556 3.041 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.624 1.641 -1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.578 0.544 -0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.850 2.287 -0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.630 1.110 -1.644 1.00 0.00 H new ATOM 1144 N ASP A 85 -10.351 -0.382 -3.423 1.00 0.00 N ATOM 1145 CA ASP A 85 -10.384 -1.694 -4.070 1.00 0.00 C ATOM 1146 C ASP A 85 -9.217 -1.845 -4.976 1.00 0.00 C ATOM 1147 O ASP A 85 -8.451 -2.818 -4.881 1.00 0.00 O ATOM 1148 CB ASP A 85 -11.648 -1.877 -4.914 1.00 0.00 C ATOM 1149 CG ASP A 85 -12.914 -1.960 -4.122 1.00 0.00 C ATOM 1150 OD1 ASP A 85 -13.435 -0.907 -3.690 1.00 0.00 O ATOM 1151 OD2 ASP A 85 -13.439 -3.075 -3.964 1.00 0.00 O ATOM 0 H ASP A 85 -11.154 0.208 -3.643 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.365 -2.440 -3.276 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.726 -1.045 -5.614 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.545 -2.785 -5.508 1.00 0.00 H new ATOM 1156 N GLN A 86 -9.037 -0.843 -5.805 1.00 0.00 N ATOM 1157 CA GLN A 86 -8.034 -0.869 -6.824 1.00 0.00 C ATOM 1158 C GLN A 86 -6.666 -0.890 -6.215 1.00 0.00 C ATOM 1159 O GLN A 86 -5.868 -1.659 -6.654 1.00 0.00 O ATOM 1160 CB GLN A 86 -8.233 0.278 -7.826 1.00 0.00 C ATOM 1161 CG GLN A 86 -7.722 -0.013 -9.246 1.00 0.00 C ATOM 1162 CD GLN A 86 -6.210 -0.102 -9.391 1.00 0.00 C ATOM 1163 OE1 GLN A 86 -5.704 -0.873 -10.214 1.00 0.00 O ATOM 1164 NE2 GLN A 86 -5.488 0.717 -8.676 1.00 0.00 N ATOM 0 H GLN A 86 -9.589 0.014 -5.785 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.135 -1.791 -7.397 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -9.295 0.516 -7.879 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -7.726 1.165 -7.447 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -8.158 -0.953 -9.585 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.088 0.768 -9.913 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.937 1.340 -8.005 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.474 0.734 -8.788 1.00 0.00 H new ATOM 1173 N VAL A 87 -6.400 -0.090 -5.178 1.00 0.00 N ATOM 1174 CA VAL A 87 -5.098 -0.167 -4.536 1.00 0.00 C ATOM 1175 C VAL A 87 -4.854 -1.557 -4.001 1.00 0.00 C ATOM 1176 O VAL A 87 -3.852 -2.131 -4.293 1.00 0.00 O ATOM 1177 CB VAL A 87 -4.787 0.921 -3.438 1.00 0.00 C ATOM 1178 CG1 VAL A 87 -4.678 2.293 -4.028 1.00 0.00 C ATOM 1179 CG2 VAL A 87 -5.790 0.932 -2.336 1.00 0.00 C ATOM 0 H VAL A 87 -7.046 0.592 -4.781 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.394 0.066 -5.335 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.823 0.639 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.463 3.013 -3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.873 2.310 -4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.618 2.556 -4.513 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.525 1.701 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.778 1.145 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.803 -0.041 -1.846 1.00 0.00 H new ATOM 1189 N THR A 88 -5.828 -2.147 -3.327 1.00 0.00 N ATOM 1190 CA THR A 88 -5.605 -3.467 -2.741 1.00 0.00 C ATOM 1191 C THR A 88 -5.370 -4.576 -3.781 1.00 0.00 C ATOM 1192 O THR A 88 -4.495 -5.469 -3.617 1.00 0.00 O ATOM 1193 CB THR A 88 -6.695 -3.833 -1.728 1.00 0.00 C ATOM 1194 OG1 THR A 88 -8.001 -3.875 -2.349 1.00 0.00 O ATOM 1195 CG2 THR A 88 -6.712 -2.789 -0.652 1.00 0.00 C ATOM 0 H THR A 88 -6.755 -1.751 -3.172 1.00 0.00 H new ATOM 0 HA THR A 88 -4.666 -3.393 -2.192 1.00 0.00 H new ATOM 0 HB THR A 88 -6.474 -4.820 -1.322 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.950 -3.483 -3.246 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.483 -3.033 0.079 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.740 -2.759 -0.159 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.925 -1.815 -1.093 1.00 0.00 H new ATOM 1203 N ARG A 89 -6.075 -4.472 -4.851 1.00 0.00 N ATOM 1204 CA ARG A 89 -5.989 -5.440 -5.928 1.00 0.00 C ATOM 1205 C ARG A 89 -4.738 -5.156 -6.744 1.00 0.00 C ATOM 1206 O ARG A 89 -4.059 -6.072 -7.175 1.00 0.00 O ATOM 1207 CB ARG A 89 -7.213 -5.357 -6.826 1.00 0.00 C ATOM 1208 CG ARG A 89 -7.349 -6.493 -7.837 1.00 0.00 C ATOM 1209 CD ARG A 89 -8.038 -7.726 -7.243 1.00 0.00 C ATOM 1210 NE ARG A 89 -7.303 -8.420 -6.160 1.00 0.00 N ATOM 1211 CZ ARG A 89 -7.838 -8.681 -4.946 1.00 0.00 C ATOM 1212 NH1 ARG A 89 -8.940 -8.045 -4.546 1.00 0.00 N ATOM 1213 NH2 ARG A 89 -7.244 -9.539 -4.123 1.00 0.00 N ATOM 0 H ARG A 89 -6.737 -3.715 -5.022 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.943 -6.443 -5.503 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.105 -5.340 -6.199 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.185 -4.411 -7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.917 -6.143 -8.698 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.360 -6.773 -8.200 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.012 -7.424 -6.859 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -8.220 -8.439 -8.047 1.00 0.00 H new ATOM 0 HE ARG A 89 -6.344 -8.716 -6.339 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -9.383 -7.358 -5.157 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -9.340 -8.245 -3.629 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.381 -10.003 -4.406 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -7.651 -9.733 -3.208 1.00 0.00 H new ATOM 1227 N ALA A 90 -4.448 -3.879 -6.970 1.00 0.00 N ATOM 1228 CA ALA A 90 -3.214 -3.478 -7.654 1.00 0.00 C ATOM 1229 C ALA A 90 -2.025 -3.885 -6.838 1.00 0.00 C ATOM 1230 O ALA A 90 -1.026 -4.262 -7.405 1.00 0.00 O ATOM 1231 CB ALA A 90 -3.165 -1.988 -7.954 1.00 0.00 C ATOM 0 H ALA A 90 -5.047 -3.102 -6.692 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.196 -3.992 -8.615 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.230 -1.749 -8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.004 -1.718 -8.595 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.226 -1.427 -7.022 1.00 0.00 H new ATOM 1237 N LEU A 91 -2.139 -3.804 -5.487 1.00 0.00 N ATOM 1238 CA LEU A 91 -1.108 -4.347 -4.605 1.00 0.00 C ATOM 1239 C LEU A 91 -0.902 -5.770 -4.946 1.00 0.00 C ATOM 1240 O LEU A 91 0.168 -6.158 -5.312 1.00 0.00 O ATOM 1241 CB LEU A 91 -1.421 -4.245 -3.080 1.00 0.00 C ATOM 1242 CG LEU A 91 -0.854 -3.013 -2.321 1.00 0.00 C ATOM 1243 CD1 LEU A 91 -1.352 -1.701 -2.862 1.00 0.00 C ATOM 1244 CD2 LEU A 91 -1.136 -3.116 -0.838 1.00 0.00 C ATOM 0 H LEU A 91 -2.927 -3.372 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.220 -3.738 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.504 -4.249 -2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.041 -5.145 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 91 0.224 -3.027 -2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.918 -0.882 -2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.061 -1.605 -3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.438 -1.664 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.729 -2.242 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.213 -3.163 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.669 -4.017 -0.441 1.00 0.00 H new ATOM 1256 N GLU A 92 -1.960 -6.530 -4.898 1.00 0.00 N ATOM 1257 CA GLU A 92 -1.876 -7.952 -5.197 1.00 0.00 C ATOM 1258 C GLU A 92 -1.285 -8.190 -6.580 1.00 0.00 C ATOM 1259 O GLU A 92 -0.454 -9.083 -6.744 1.00 0.00 O ATOM 1260 CB GLU A 92 -3.230 -8.602 -5.078 1.00 0.00 C ATOM 1261 CG GLU A 92 -3.234 -10.090 -5.322 1.00 0.00 C ATOM 1262 CD GLU A 92 -4.613 -10.583 -5.566 1.00 0.00 C ATOM 1263 OE1 GLU A 92 -5.175 -10.276 -6.633 1.00 0.00 O ATOM 1264 OE2 GLU A 92 -5.181 -11.268 -4.702 1.00 0.00 O ATOM 0 H GLU A 92 -2.894 -6.200 -4.656 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.209 -8.409 -4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.625 -8.409 -4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.910 -8.129 -5.787 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.603 -10.324 -6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.806 -10.605 -4.462 1.00 0.00 H new ATOM 1271 N ASN A 93 -1.708 -7.403 -7.532 1.00 0.00 N ATOM 1272 CA ASN A 93 -1.159 -7.435 -8.861 1.00 0.00 C ATOM 1273 C ASN A 93 0.342 -7.271 -8.805 1.00 0.00 C ATOM 1274 O ASN A 93 1.104 -8.257 -9.065 1.00 0.00 O ATOM 1275 CB ASN A 93 -1.804 -6.346 -9.735 1.00 0.00 C ATOM 1276 CG ASN A 93 -2.996 -6.848 -10.501 1.00 0.00 C ATOM 1277 OD1 ASN A 93 -2.853 -7.350 -11.612 1.00 0.00 O ATOM 1278 ND2 ASN A 93 -4.164 -6.738 -9.936 1.00 0.00 N ATOM 0 H ASN A 93 -2.450 -6.715 -7.406 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.381 -8.401 -9.314 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.108 -5.512 -9.103 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.063 -5.962 -10.435 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.997 -7.075 -10.418 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.245 -6.315 -9.011 1.00 0.00 H new ATOM 1285 N VAL A 94 0.770 -6.087 -8.348 1.00 0.00 N ATOM 1286 CA VAL A 94 2.166 -5.739 -8.269 1.00 0.00 C ATOM 1287 C VAL A 94 2.974 -6.676 -7.498 1.00 0.00 C ATOM 1288 O VAL A 94 4.032 -7.123 -7.965 1.00 0.00 O ATOM 1289 CB VAL A 94 2.489 -4.304 -7.803 1.00 0.00 C ATOM 1290 CG1 VAL A 94 2.142 -3.281 -8.859 1.00 0.00 C ATOM 1291 CG2 VAL A 94 1.862 -3.921 -6.474 1.00 0.00 C ATOM 0 H VAL A 94 0.142 -5.351 -8.025 1.00 0.00 H new ATOM 0 HA VAL A 94 2.444 -5.801 -9.321 1.00 0.00 H new ATOM 0 HB VAL A 94 3.567 -4.303 -7.644 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.384 -2.283 -8.493 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.714 -3.484 -9.764 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.077 -3.336 -9.083 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.140 -2.898 -6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.777 -3.994 -6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.218 -4.596 -5.696 1.00 0.00 H new ATOM 1301 N LEU A 95 2.494 -7.058 -6.391 1.00 0.00 N ATOM 1302 CA LEU A 95 3.352 -7.745 -5.536 1.00 0.00 C ATOM 1303 C LEU A 95 3.356 -9.186 -5.655 1.00 0.00 C ATOM 1304 O LEU A 95 4.374 -9.808 -5.402 1.00 0.00 O ATOM 1305 CB LEU A 95 3.273 -7.252 -4.122 1.00 0.00 C ATOM 1306 CG LEU A 95 1.905 -7.281 -3.439 1.00 0.00 C ATOM 1307 CD1 LEU A 95 1.474 -8.650 -2.953 1.00 0.00 C ATOM 1308 CD2 LEU A 95 1.835 -6.263 -2.356 1.00 0.00 C ATOM 0 H LEU A 95 1.539 -6.912 -6.062 1.00 0.00 H new ATOM 0 HA LEU A 95 4.345 -7.485 -5.904 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.962 -7.845 -3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.636 -6.225 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 95 1.181 -7.024 -4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.494 -8.577 -2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.420 -9.336 -3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.198 -9.023 -2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.853 -6.301 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.604 -6.470 -1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.996 -5.271 -2.778 1.00 0.00 H new ATOM 1320 N SER A 96 2.286 -9.749 -6.018 1.00 0.00 N ATOM 1321 CA SER A 96 2.306 -11.142 -6.093 1.00 0.00 C ATOM 1322 C SER A 96 2.933 -11.542 -7.432 1.00 0.00 C ATOM 1323 O SER A 96 3.407 -12.681 -7.590 1.00 0.00 O ATOM 1324 CB SER A 96 0.923 -11.734 -5.910 1.00 0.00 C ATOM 1325 OG SER A 96 0.263 -11.131 -4.805 1.00 0.00 O ATOM 0 H SER A 96 1.409 -9.288 -6.262 1.00 0.00 H new ATOM 0 HA SER A 96 2.908 -11.545 -5.279 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.336 -11.586 -6.816 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.000 -12.810 -5.752 1.00 0.00 H new ATOM 0 HG SER A 96 -0.162 -10.296 -5.093 1.00 0.00 H new ATOM 1331 N GLY A 97 2.931 -10.608 -8.416 1.00 0.00 N ATOM 1332 CA GLY A 97 3.640 -10.917 -9.617 1.00 0.00 C ATOM 1333 C GLY A 97 3.628 -9.844 -10.671 1.00 0.00 C ATOM 1334 O GLY A 97 3.553 -10.170 -11.851 1.00 0.00 O ATOM 0 H GLY A 97 2.469 -9.699 -8.382 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.676 -11.138 -9.360 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.217 -11.826 -10.044 1.00 0.00 H new ATOM 1338 N LYS A 98 3.687 -8.563 -10.313 1.00 0.00 N ATOM 1339 CA LYS A 98 3.727 -7.575 -11.426 1.00 0.00 C ATOM 1340 C LYS A 98 5.135 -7.142 -11.669 1.00 0.00 C ATOM 1341 O LYS A 98 5.564 -6.911 -12.802 1.00 0.00 O ATOM 1342 CB LYS A 98 2.839 -6.370 -11.186 1.00 0.00 C ATOM 1343 CG LYS A 98 1.903 -5.990 -12.326 1.00 0.00 C ATOM 1344 CD LYS A 98 2.656 -5.613 -13.577 1.00 0.00 C ATOM 1345 CE LYS A 98 1.713 -5.229 -14.695 1.00 0.00 C ATOM 1346 NZ LYS A 98 2.445 -4.937 -15.934 1.00 0.00 N ATOM 0 H LYS A 98 3.707 -8.193 -9.363 1.00 0.00 H new ATOM 0 HA LYS A 98 3.334 -8.076 -12.310 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.238 -6.559 -10.297 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.476 -5.513 -10.965 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.238 -6.826 -12.542 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.275 -5.155 -12.016 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.327 -4.781 -13.363 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.278 -6.450 -13.895 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.005 -6.039 -14.871 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.131 -4.356 -14.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.771 -4.677 -16.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.103 -4.148 -15.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.980 -5.779 -16.228 1.00 0.00 H new ATOM 1360 N ALA A 99 5.818 -7.054 -10.597 1.00 0.00 N ATOM 1361 CA ALA A 99 7.177 -6.613 -10.529 1.00 0.00 C ATOM 1362 C ALA A 99 8.111 -7.569 -11.258 1.00 0.00 C ATOM 1363 O ALA A 99 8.409 -8.652 -10.728 1.00 0.00 O ATOM 1364 CB ALA A 99 7.568 -6.452 -9.085 1.00 0.00 C ATOM 1365 OXT ALA A 99 8.570 -7.236 -12.367 1.00 0.00 O ATOM 0 H ALA A 99 5.434 -7.299 -9.684 1.00 0.00 H new ATOM 0 HA ALA A 99 7.266 -5.650 -11.032 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.603 -6.116 -9.024 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.919 -5.715 -8.612 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.466 -7.408 -8.572 1.00 0.00 H new