USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 895 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 4 ASN :FLIP amide:sc= -0.0517 F(o=-6.9!,f=-5.9) USER MOD Set 1.2: A 117 ASN : amide:sc= -3.81 K(o=-5.9,f=-13!) USER MOD Set 1.3: A 119 GLN :FLIP amide:sc= -2.02 F(o=-7.1!,f=-5.9) USER MOD Set 2.1: A 111 GLN :FLIP amide:sc= -0.425 F(o=-4.7,f=-2.8) USER MOD Set 2.2: A 113 HIS : no HD1:sc= -2.38 K(o=-2.8,f=-4.3!) USER MOD Set 3.1: A 71 ASN :FLIP amide:sc= -0.106 F(o=-2.6,f=1.2) USER MOD Set 3.2: A 74 THR OG1 : rot -84:sc= 1.28 USER MOD Set 4.1: A 10 TYR OH : rot 30:sc= 0.196 USER MOD Set 4.2: A 12 TYR OH : rot -82:sc= 1.19 USER MOD Single : A 1 GLU N :NH3+ 159:sc= -0.347 (180deg=-0.986) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 100:sc= 0.194 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 18 ASN : amide:sc= -0.0453 K(o=-0.045,f=-1) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 28 SER OG : rot -100:sc= 0.279 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 37 SER OG : rot -81:sc= 0.688 USER MOD Single : A 38 LYS NZ :NH3+ -147:sc=-0.00527 (180deg=-0.242) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -93:sc= 1.21 USER MOD Single : A 45 LYS NZ :NH3+ -120:sc= 1.13 (180deg=-1.18) USER MOD Single : A 46 TYR OH : rot -143:sc= 0.942 USER MOD Single : A 49 THR OG1 : rot 28:sc= 0.671 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= -0.0124 (180deg=-0.333) USER MOD Single : A 70 THR OG1 : rot -125:sc= -2.2! USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -1.06 F(o=-2.8!,f=-1.1) USER MOD Single : A 88 ASN : amide:sc= -0.287 K(o=-0.29,f=-0.93) USER MOD Single : A 97 THR OG1 : rot -130:sc= 0.434 USER MOD Single : A 100 THR OG1 : rot 73:sc= -0.715 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -100:sc= -1.83! USER MOD Single : A 105 ASN : amide:sc= -1.49 K(o=-1.5,f=-6.4!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.367 K(o=-0.37,f=-2.8!) USER MOD Single : A 115 ASN :FLIP amide:sc= 0.292 F(o=-0.34,f=0.29) USER MOD Single : A 118 TYR OH : rot 59:sc= 0.601 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.877 13.600 0.801 1.00 0.00 N ATOM 2 CA GLU A 1 2.719 13.337 -0.661 1.00 0.00 C ATOM 3 C GLU A 1 4.046 13.028 -1.359 1.00 0.00 C ATOM 4 O GLU A 1 4.087 12.168 -2.211 1.00 0.00 O ATOM 5 CB GLU A 1 2.062 14.549 -1.292 1.00 0.00 C ATOM 6 CG GLU A 1 2.851 15.862 -1.004 1.00 0.00 C ATOM 7 CD GLU A 1 1.976 17.074 -1.356 1.00 0.00 C ATOM 8 OE1 GLU A 1 0.780 16.971 -1.093 1.00 0.00 O ATOM 9 OE2 GLU A 1 2.581 18.011 -1.843 1.00 0.00 O ATOM 0 H1 GLU A 1 2.056 14.136 1.148 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.942 12.696 1.311 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.744 14.152 0.963 1.00 0.00 H new ATOM 0 HA GLU A 1 2.100 12.448 -0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.988 14.400 -2.369 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.045 14.648 -0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 1 3.140 15.902 0.046 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.771 15.882 -1.589 1.00 0.00 H new ATOM 18 N GLN A 2 5.098 13.726 -1.011 1.00 0.00 N ATOM 19 CA GLN A 2 6.447 13.497 -1.631 1.00 0.00 C ATOM 20 C GLN A 2 7.453 12.949 -0.598 1.00 0.00 C ATOM 21 O GLN A 2 7.937 13.709 0.214 1.00 0.00 O ATOM 22 CB GLN A 2 6.939 14.862 -2.216 1.00 0.00 C ATOM 23 CG GLN A 2 8.422 14.772 -2.730 1.00 0.00 C ATOM 24 CD GLN A 2 8.855 16.070 -3.423 1.00 0.00 C ATOM 25 OE1 GLN A 2 9.836 16.691 -3.086 1.00 0.00 O ATOM 26 NE2 GLN A 2 8.170 16.546 -4.410 1.00 0.00 N ATOM 0 H GLN A 2 5.081 14.463 -0.306 1.00 0.00 H new ATOM 0 HA GLN A 2 6.370 12.750 -2.421 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.287 15.163 -3.036 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.865 15.634 -1.450 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.087 14.566 -1.891 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.518 13.938 -3.425 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.334 16.059 -4.732 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.466 17.409 -4.867 1.00 0.00 H new ATOM 35 N ALA A 3 7.742 11.672 -0.615 1.00 0.00 N ATOM 36 CA ALA A 3 8.731 11.145 0.386 1.00 0.00 C ATOM 37 C ALA A 3 9.881 10.506 -0.420 1.00 0.00 C ATOM 38 O ALA A 3 9.632 9.870 -1.436 1.00 0.00 O ATOM 39 CB ALA A 3 8.039 10.098 1.271 1.00 0.00 C ATOM 0 H ALA A 3 7.350 10.984 -1.258 1.00 0.00 H new ATOM 0 HA ALA A 3 9.115 11.933 1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.750 9.711 2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.200 10.559 1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.675 9.280 0.650 1.00 0.00 H new ATOM 45 N ASN A 4 11.095 10.686 0.039 1.00 0.00 N ATOM 46 CA ASN A 4 12.283 10.104 -0.671 1.00 0.00 C ATOM 47 C ASN A 4 13.078 9.212 0.281 1.00 0.00 C ATOM 48 O ASN A 4 12.775 9.214 1.455 1.00 0.00 O ATOM 49 CB ASN A 4 13.149 11.283 -1.214 1.00 0.00 C ATOM 50 CG ASN A 4 12.466 11.985 -2.389 1.00 0.00 C ATOM 51 OD1 ASN A 4 11.338 11.575 -2.858 1.00 0.00 O flip ATOM 52 ND2 ASN A 4 12.943 12.951 -2.934 1.00 0.00 N flip ATOM 0 H ASN A 4 11.318 11.215 0.882 1.00 0.00 H new ATOM 0 HA ASN A 4 11.966 9.480 -1.506 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.330 12.002 -0.415 1.00 0.00 H new ATOM 0 HB3 ASN A 4 14.122 10.906 -1.530 1.00 0.00 H new ATOM 0 HD21 ASN A 4 13.835 13.329 -2.614 1.00 0.00 H new ATOM 0 HD22 ASN A 4 12.454 13.389 -3.715 1.00 0.00 H new ATOM 59 N ASP A 5 14.052 8.499 -0.236 1.00 0.00 N ATOM 60 CA ASP A 5 14.900 7.569 0.604 1.00 0.00 C ATOM 61 C ASP A 5 13.999 6.898 1.671 1.00 0.00 C ATOM 62 O ASP A 5 14.169 7.025 2.870 1.00 0.00 O ATOM 63 CB ASP A 5 16.068 8.378 1.309 1.00 0.00 C ATOM 64 CG ASP A 5 16.943 7.468 2.197 1.00 0.00 C ATOM 65 OD1 ASP A 5 16.746 6.270 2.087 1.00 0.00 O ATOM 66 OD2 ASP A 5 17.752 8.022 2.919 1.00 0.00 O ATOM 0 H ASP A 5 14.305 8.518 -1.224 1.00 0.00 H new ATOM 0 HA ASP A 5 15.347 6.806 -0.033 1.00 0.00 H new ATOM 0 HB2 ASP A 5 16.691 8.852 0.550 1.00 0.00 H new ATOM 0 HB3 ASP A 5 15.642 9.176 1.916 1.00 0.00 H new ATOM 71 N VAL A 6 13.028 6.180 1.189 1.00 0.00 N ATOM 72 CA VAL A 6 12.126 5.521 2.166 1.00 0.00 C ATOM 73 C VAL A 6 12.529 4.062 2.274 1.00 0.00 C ATOM 74 O VAL A 6 12.571 3.347 1.281 1.00 0.00 O ATOM 75 CB VAL A 6 10.670 5.672 1.665 1.00 0.00 C ATOM 76 CG1 VAL A 6 9.699 5.445 2.844 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.451 7.108 1.135 1.00 0.00 C ATOM 0 H VAL A 6 12.824 6.024 0.202 1.00 0.00 H new ATOM 0 HA VAL A 6 12.199 5.976 3.154 1.00 0.00 H new ATOM 0 HB VAL A 6 10.489 4.945 0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.672 5.551 2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.844 4.443 3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.895 6.181 3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.425 7.213 0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.634 7.824 1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.139 7.301 0.312 1.00 0.00 H new ATOM 87 N ARG A 7 12.825 3.683 3.493 1.00 0.00 N ATOM 88 CA ARG A 7 13.233 2.280 3.800 1.00 0.00 C ATOM 89 C ARG A 7 11.845 1.639 3.672 1.00 0.00 C ATOM 90 O ARG A 7 11.130 1.508 4.642 1.00 0.00 O ATOM 91 CB ARG A 7 13.767 2.201 5.260 1.00 0.00 C ATOM 92 CG ARG A 7 14.879 3.237 5.586 1.00 0.00 C ATOM 93 CD ARG A 7 15.325 2.989 7.043 1.00 0.00 C ATOM 94 NE ARG A 7 16.065 1.680 7.041 1.00 0.00 N ATOM 95 CZ ARG A 7 16.828 1.316 7.993 1.00 0.00 C ATOM 96 NH1 ARG A 7 17.999 1.803 8.029 1.00 0.00 N ATOM 97 NH2 ARG A 7 16.356 0.490 8.831 1.00 0.00 N ATOM 0 H ARG A 7 12.800 4.302 4.304 1.00 0.00 H new ATOM 0 HA ARG A 7 14.019 1.836 3.189 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.935 2.349 5.948 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.155 1.199 5.440 1.00 0.00 H new ATOM 0 HG2 ARG A 7 15.721 3.125 4.902 1.00 0.00 H new ATOM 0 HG3 ARG A 7 14.504 4.254 5.467 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.965 3.797 7.396 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.465 2.948 7.711 1.00 0.00 H new ATOM 0 HE ARG A 7 15.951 1.056 6.242 1.00 0.00 H new ATOM 0 HH11 ARG A 7 18.300 2.462 7.311 1.00 0.00 H new ATOM 0 HH12 ARG A 7 18.640 1.536 8.776 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.402 0.146 8.726 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.931 0.170 9.611 1.00 0.00 H new ATOM 111 N ALA A 8 11.474 1.248 2.491 1.00 0.00 N ATOM 112 CA ALA A 8 10.137 0.637 2.301 1.00 0.00 C ATOM 113 C ALA A 8 10.086 -0.881 2.555 1.00 0.00 C ATOM 114 O ALA A 8 11.022 -1.620 2.330 1.00 0.00 O ATOM 115 CB ALA A 8 9.728 1.013 0.853 1.00 0.00 C ATOM 0 H ALA A 8 12.041 1.325 1.647 1.00 0.00 H new ATOM 0 HA ALA A 8 9.436 1.020 3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.745 0.596 0.633 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.693 2.098 0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.459 0.609 0.152 1.00 0.00 H new ATOM 121 N THR A 9 8.944 -1.268 3.022 1.00 0.00 N ATOM 122 CA THR A 9 8.615 -2.686 3.352 1.00 0.00 C ATOM 123 C THR A 9 7.963 -3.196 2.069 1.00 0.00 C ATOM 124 O THR A 9 7.701 -2.414 1.177 1.00 0.00 O ATOM 125 CB THR A 9 7.603 -2.717 4.525 1.00 0.00 C ATOM 126 OG1 THR A 9 6.572 -1.824 4.094 1.00 0.00 O ATOM 127 CG2 THR A 9 8.150 -1.934 5.724 1.00 0.00 C ATOM 0 H THR A 9 8.174 -0.623 3.201 1.00 0.00 H new ATOM 0 HA THR A 9 9.475 -3.282 3.657 1.00 0.00 H new ATOM 0 HB THR A 9 7.345 -3.747 4.771 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.820 -2.341 3.736 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.427 -1.965 6.539 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.088 -2.381 6.053 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.324 -0.898 5.433 1.00 0.00 H new ATOM 135 N TYR A 10 7.716 -4.468 1.956 1.00 0.00 N ATOM 136 CA TYR A 10 7.069 -4.947 0.689 1.00 0.00 C ATOM 137 C TYR A 10 5.686 -5.659 0.909 1.00 0.00 C ATOM 138 O TYR A 10 5.462 -6.794 0.514 1.00 0.00 O ATOM 139 CB TYR A 10 8.162 -5.853 0.004 1.00 0.00 C ATOM 140 CG TYR A 10 8.030 -7.324 0.394 1.00 0.00 C ATOM 141 CD1 TYR A 10 7.845 -7.744 1.699 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.046 -8.257 -0.611 1.00 0.00 C ATOM 143 CE1 TYR A 10 7.667 -9.080 1.979 1.00 0.00 C ATOM 144 CE2 TYR A 10 7.871 -9.583 -0.329 1.00 0.00 C ATOM 145 CZ TYR A 10 7.675 -10.001 0.963 1.00 0.00 C ATOM 146 OH TYR A 10 7.441 -11.324 1.246 1.00 0.00 O ATOM 0 H TYR A 10 7.922 -5.182 2.655 1.00 0.00 H new ATOM 0 HA TYR A 10 6.783 -4.116 0.045 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.081 -5.759 -1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.153 -5.494 0.282 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.840 -7.021 2.501 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.198 -7.942 -1.633 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.521 -9.403 2.999 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.887 -10.308 -1.130 1.00 0.00 H new ATOM 0 HH TYR A 10 6.851 -11.392 2.025 1.00 0.00 H new ATOM 156 N HIS A 11 4.734 -4.988 1.522 1.00 0.00 N ATOM 157 CA HIS A 11 3.434 -5.715 1.713 1.00 0.00 C ATOM 158 C HIS A 11 2.538 -5.337 0.526 1.00 0.00 C ATOM 159 O HIS A 11 1.875 -4.315 0.481 1.00 0.00 O ATOM 160 CB HIS A 11 2.754 -5.299 3.001 1.00 0.00 C ATOM 161 CG HIS A 11 1.719 -6.350 3.432 1.00 0.00 C ATOM 162 ND1 HIS A 11 1.970 -7.387 4.160 1.00 0.00 N ATOM 163 CD2 HIS A 11 0.367 -6.452 3.167 1.00 0.00 C ATOM 164 CE1 HIS A 11 0.887 -8.077 4.339 1.00 0.00 C ATOM 165 NE2 HIS A 11 -0.136 -7.529 3.736 1.00 0.00 N ATOM 0 H HIS A 11 4.789 -4.033 1.877 1.00 0.00 H new ATOM 0 HA HIS A 11 3.613 -6.789 1.767 1.00 0.00 H new ATOM 0 HB2 HIS A 11 3.499 -5.171 3.787 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.265 -4.334 2.865 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.199 -5.747 2.576 1.00 0.00 H new ATOM 0 HE1 HIS A 11 0.836 -8.990 4.914 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -1.101 -7.859 3.712 1.00 0.00 H new ATOM 173 N TYR A 12 2.653 -6.267 -0.377 1.00 0.00 N ATOM 174 CA TYR A 12 1.943 -6.287 -1.683 1.00 0.00 C ATOM 175 C TYR A 12 0.697 -7.191 -1.562 1.00 0.00 C ATOM 176 O TYR A 12 0.754 -8.373 -1.836 1.00 0.00 O ATOM 177 CB TYR A 12 2.949 -6.819 -2.764 1.00 0.00 C ATOM 178 CG TYR A 12 3.739 -8.111 -2.362 1.00 0.00 C ATOM 179 CD1 TYR A 12 3.408 -8.920 -1.278 1.00 0.00 C ATOM 180 CD2 TYR A 12 4.834 -8.490 -3.126 1.00 0.00 C ATOM 181 CE1 TYR A 12 4.136 -10.045 -0.978 1.00 0.00 C ATOM 182 CE2 TYR A 12 5.564 -9.636 -2.809 1.00 0.00 C ATOM 183 CZ TYR A 12 5.209 -10.415 -1.728 1.00 0.00 C ATOM 184 OH TYR A 12 5.896 -11.562 -1.376 1.00 0.00 O ATOM 0 H TYR A 12 3.260 -7.076 -0.247 1.00 0.00 H new ATOM 0 HA TYR A 12 1.603 -5.293 -1.975 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.397 -7.021 -3.682 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.666 -6.030 -2.990 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.562 -8.657 -0.661 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.125 -7.891 -3.976 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.851 -10.649 -0.129 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.413 -9.915 -3.415 1.00 0.00 H new ATOM 0 HH TYR A 12 6.528 -11.357 -0.656 1.00 0.00 H new ATOM 194 N TYR A 13 -0.410 -6.643 -1.134 1.00 0.00 N ATOM 195 CA TYR A 13 -1.631 -7.531 -1.021 1.00 0.00 C ATOM 196 C TYR A 13 -1.929 -8.145 -2.429 1.00 0.00 C ATOM 197 O TYR A 13 -1.461 -7.558 -3.398 1.00 0.00 O ATOM 198 CB TYR A 13 -2.834 -6.685 -0.528 1.00 0.00 C ATOM 199 CG TYR A 13 -3.605 -7.491 0.511 1.00 0.00 C ATOM 200 CD1 TYR A 13 -2.964 -7.884 1.668 1.00 0.00 C ATOM 201 CD2 TYR A 13 -4.930 -7.833 0.321 1.00 0.00 C ATOM 202 CE1 TYR A 13 -3.638 -8.608 2.620 1.00 0.00 C ATOM 203 CE2 TYR A 13 -5.603 -8.559 1.280 1.00 0.00 C ATOM 204 CZ TYR A 13 -4.951 -8.944 2.428 1.00 0.00 C ATOM 205 OH TYR A 13 -5.600 -9.659 3.402 1.00 0.00 O ATOM 0 H TYR A 13 -0.533 -5.666 -0.866 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.457 -8.336 -0.307 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.485 -5.747 -0.096 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.483 -6.428 -1.365 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.928 -7.621 1.825 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.440 -7.531 -0.582 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.131 -8.913 3.523 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.639 -8.825 1.130 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.526 -9.822 3.126 1.00 0.00 H new ATOM 215 N ARG A 14 -2.685 -9.234 -2.456 1.00 0.00 N ATOM 216 CA ARG A 14 -3.063 -9.978 -3.729 1.00 0.00 C ATOM 217 C ARG A 14 -4.473 -9.782 -4.408 1.00 0.00 C ATOM 218 O ARG A 14 -5.385 -10.558 -4.174 1.00 0.00 O ATOM 219 CB ARG A 14 -2.898 -11.476 -3.446 1.00 0.00 C ATOM 220 CG ARG A 14 -1.471 -11.836 -2.897 1.00 0.00 C ATOM 221 CD ARG A 14 -1.458 -13.323 -2.517 1.00 0.00 C ATOM 222 NE ARG A 14 -2.532 -13.441 -1.480 1.00 0.00 N ATOM 223 CZ ARG A 14 -2.516 -14.130 -0.410 1.00 0.00 C ATOM 224 NH1 ARG A 14 -1.435 -14.528 0.145 1.00 0.00 N ATOM 225 NH2 ARG A 14 -3.683 -14.378 0.042 1.00 0.00 N ATOM 0 H ARG A 14 -3.073 -9.657 -1.612 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.395 -9.526 -4.462 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.651 -11.790 -2.723 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.082 -12.037 -4.362 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.712 -11.631 -3.652 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.232 -11.221 -2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.664 -13.957 -3.379 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.488 -13.626 -2.123 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.381 -12.903 -1.653 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.533 -14.295 -0.270 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.475 -15.078 1.003 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.505 -14.031 -0.451 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.794 -14.924 0.897 1.00 0.00 H new ATOM 239 N PRO A 15 -4.626 -8.770 -5.236 1.00 0.00 N ATOM 240 CA PRO A 15 -5.947 -8.427 -5.894 1.00 0.00 C ATOM 241 C PRO A 15 -6.572 -9.581 -6.715 1.00 0.00 C ATOM 242 O PRO A 15 -7.543 -10.197 -6.323 1.00 0.00 O ATOM 243 CB PRO A 15 -5.580 -7.200 -6.721 1.00 0.00 C ATOM 244 CG PRO A 15 -4.069 -7.375 -7.032 1.00 0.00 C ATOM 245 CD PRO A 15 -3.533 -7.835 -5.674 1.00 0.00 C ATOM 0 HA PRO A 15 -6.745 -8.239 -5.175 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.170 -7.148 -7.636 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.767 -6.279 -6.169 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.893 -8.113 -7.814 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.607 -6.445 -7.362 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.570 -8.338 -5.760 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.398 -7.005 -4.981 1.00 0.00 H new ATOM 253 N ALA A 16 -5.947 -9.792 -7.849 1.00 0.00 N ATOM 254 CA ALA A 16 -6.282 -10.838 -8.877 1.00 0.00 C ATOM 255 C ALA A 16 -7.106 -11.984 -8.284 1.00 0.00 C ATOM 256 O ALA A 16 -8.127 -12.362 -8.826 1.00 0.00 O ATOM 257 CB ALA A 16 -4.931 -11.316 -9.448 1.00 0.00 C ATOM 0 H ALA A 16 -5.144 -9.227 -8.126 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.913 -10.429 -9.666 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.106 -12.081 -10.204 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.408 -10.473 -9.899 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.323 -11.732 -8.645 1.00 0.00 H new ATOM 263 N GLN A 17 -6.561 -12.455 -7.191 1.00 0.00 N ATOM 264 CA GLN A 17 -7.121 -13.565 -6.364 1.00 0.00 C ATOM 265 C GLN A 17 -8.618 -13.785 -6.647 1.00 0.00 C ATOM 266 O GLN A 17 -9.037 -14.851 -7.040 1.00 0.00 O ATOM 267 CB GLN A 17 -6.879 -13.192 -4.877 1.00 0.00 C ATOM 268 CG GLN A 17 -7.288 -14.405 -3.993 1.00 0.00 C ATOM 269 CD GLN A 17 -7.422 -14.023 -2.520 1.00 0.00 C ATOM 270 OE1 GLN A 17 -6.474 -13.699 -1.833 1.00 0.00 O ATOM 271 NE2 GLN A 17 -8.600 -14.054 -1.988 1.00 0.00 N ATOM 0 H GLN A 17 -5.688 -12.085 -6.816 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.627 -14.505 -6.610 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.831 -12.941 -4.715 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.463 -12.312 -4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.235 -14.810 -4.350 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.544 -15.195 -4.096 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.407 -14.324 -2.551 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.723 -13.809 -1.006 1.00 0.00 H new ATOM 280 N ASN A 18 -9.376 -12.744 -6.439 1.00 0.00 N ATOM 281 CA ASN A 18 -10.847 -12.815 -6.669 1.00 0.00 C ATOM 282 C ASN A 18 -11.298 -11.735 -7.693 1.00 0.00 C ATOM 283 O ASN A 18 -12.142 -10.913 -7.428 1.00 0.00 O ATOM 284 CB ASN A 18 -11.426 -12.667 -5.249 1.00 0.00 C ATOM 285 CG ASN A 18 -12.848 -13.197 -5.147 1.00 0.00 C ATOM 286 OD1 ASN A 18 -13.220 -14.148 -5.793 1.00 0.00 O ATOM 287 ND2 ASN A 18 -13.680 -12.626 -4.336 1.00 0.00 N ATOM 0 H ASN A 18 -9.036 -11.838 -6.116 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.200 -13.738 -7.129 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.790 -13.201 -4.542 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.411 -11.616 -4.961 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.633 -12.980 -4.250 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -13.383 -11.822 -3.783 1.00 0.00 H new ATOM 294 N ASN A 19 -10.690 -11.766 -8.850 1.00 0.00 N ATOM 295 CA ASN A 19 -10.960 -10.822 -10.003 1.00 0.00 C ATOM 296 C ASN A 19 -11.246 -9.315 -9.660 1.00 0.00 C ATOM 297 O ASN A 19 -11.840 -8.597 -10.434 1.00 0.00 O ATOM 298 CB ASN A 19 -12.136 -11.465 -10.771 1.00 0.00 C ATOM 299 CG ASN A 19 -12.143 -11.127 -12.259 1.00 0.00 C ATOM 300 OD1 ASN A 19 -11.324 -10.422 -12.809 1.00 0.00 O ATOM 301 ND2 ASN A 19 -13.081 -11.632 -12.986 1.00 0.00 N ATOM 0 H ASN A 19 -9.966 -12.452 -9.064 1.00 0.00 H new ATOM 0 HA ASN A 19 -10.042 -10.725 -10.582 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -12.090 -12.547 -10.652 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.075 -11.135 -10.326 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -13.114 -11.433 -13.986 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -13.789 -12.230 -12.561 1.00 0.00 H new ATOM 308 N TRP A 20 -10.783 -8.932 -8.496 1.00 0.00 N ATOM 309 CA TRP A 20 -10.881 -7.551 -7.882 1.00 0.00 C ATOM 310 C TRP A 20 -12.260 -7.287 -7.280 1.00 0.00 C ATOM 311 O TRP A 20 -12.631 -6.135 -7.139 1.00 0.00 O ATOM 312 CB TRP A 20 -10.529 -6.387 -8.972 1.00 0.00 C ATOM 313 CG TRP A 20 -9.036 -6.429 -9.389 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.428 -7.615 -9.564 1.00 0.00 C ATOM 315 CD2 TRP A 20 -8.143 -5.411 -9.657 1.00 0.00 C ATOM 316 NE1 TRP A 20 -7.207 -7.308 -9.942 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.951 -6.025 -10.018 1.00 0.00 C ATOM 318 CE3 TRP A 20 -8.106 -4.007 -9.613 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.829 -5.302 -10.319 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -6.952 -3.355 -9.931 1.00 0.00 C ATOM 321 CH2 TRP A 20 -5.828 -3.986 -10.284 1.00 0.00 C ATOM 0 H TRP A 20 -10.292 -9.584 -7.884 1.00 0.00 H new ATOM 0 HA TRP A 20 -10.145 -7.520 -7.079 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -11.157 -6.511 -9.854 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -10.762 -5.410 -8.550 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -8.849 -8.600 -9.425 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -6.508 -8.018 -10.161 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -8.986 -3.448 -9.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -4.923 -5.823 -10.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -6.946 -2.276 -9.896 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -4.938 -3.428 -10.535 1.00 0.00 H new ATOM 332 N ASP A 21 -12.948 -8.338 -6.920 1.00 0.00 N ATOM 333 CA ASP A 21 -14.297 -8.212 -6.324 1.00 0.00 C ATOM 334 C ASP A 21 -14.083 -7.984 -4.832 1.00 0.00 C ATOM 335 O ASP A 21 -14.531 -8.683 -3.944 1.00 0.00 O ATOM 336 CB ASP A 21 -15.052 -9.513 -6.595 1.00 0.00 C ATOM 337 CG ASP A 21 -16.544 -9.188 -6.619 1.00 0.00 C ATOM 338 OD1 ASP A 21 -16.907 -8.447 -7.525 1.00 0.00 O ATOM 339 OD2 ASP A 21 -17.212 -9.694 -5.736 1.00 0.00 O ATOM 0 H ASP A 21 -12.618 -9.298 -7.019 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.880 -7.390 -6.740 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.740 -9.946 -7.545 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.834 -10.250 -5.822 1.00 0.00 H new ATOM 344 N LEU A 22 -13.361 -6.932 -4.583 1.00 0.00 N ATOM 345 CA LEU A 22 -13.040 -6.541 -3.200 1.00 0.00 C ATOM 346 C LEU A 22 -14.288 -6.511 -2.298 1.00 0.00 C ATOM 347 O LEU A 22 -14.150 -6.524 -1.091 1.00 0.00 O ATOM 348 CB LEU A 22 -12.372 -5.243 -3.363 1.00 0.00 C ATOM 349 CG LEU A 22 -11.051 -5.368 -4.216 1.00 0.00 C ATOM 350 CD1 LEU A 22 -10.713 -3.886 -4.307 1.00 0.00 C ATOM 351 CD2 LEU A 22 -9.944 -6.035 -3.394 1.00 0.00 C ATOM 0 H LEU A 22 -12.975 -6.318 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.399 -7.254 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.052 -4.542 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.134 -4.831 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.149 -5.931 -5.144 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.796 -3.757 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.528 -3.357 -4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.573 -3.482 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.040 -6.113 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.738 -5.435 -2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.266 -7.031 -3.091 1.00 0.00 H new ATOM 363 N GLY A 23 -15.452 -6.465 -2.910 1.00 0.00 N ATOM 364 CA GLY A 23 -16.740 -6.446 -2.138 1.00 0.00 C ATOM 365 C GLY A 23 -16.737 -7.660 -1.188 1.00 0.00 C ATOM 366 O GLY A 23 -17.276 -7.629 -0.103 1.00 0.00 O ATOM 0 H GLY A 23 -15.565 -6.440 -3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.833 -5.519 -1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.592 -6.493 -2.816 1.00 0.00 H new ATOM 370 N ALA A 24 -16.127 -8.720 -1.645 1.00 0.00 N ATOM 371 CA ALA A 24 -15.984 -10.019 -0.903 1.00 0.00 C ATOM 372 C ALA A 24 -15.693 -9.864 0.639 1.00 0.00 C ATOM 373 O ALA A 24 -14.646 -9.354 1.009 1.00 0.00 O ATOM 374 CB ALA A 24 -14.868 -10.778 -1.644 1.00 0.00 C ATOM 0 H ALA A 24 -15.691 -8.741 -2.567 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.928 -10.564 -0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.702 -11.742 -1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.163 -10.937 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.948 -10.194 -1.614 1.00 0.00 H new ATOM 380 N PRO A 25 -16.581 -10.321 1.502 1.00 0.00 N ATOM 381 CA PRO A 25 -16.649 -9.873 2.934 1.00 0.00 C ATOM 382 C PRO A 25 -15.292 -9.470 3.587 1.00 0.00 C ATOM 383 O PRO A 25 -15.028 -8.325 3.917 1.00 0.00 O ATOM 384 CB PRO A 25 -17.345 -11.081 3.657 1.00 0.00 C ATOM 385 CG PRO A 25 -17.613 -12.136 2.533 1.00 0.00 C ATOM 386 CD PRO A 25 -17.626 -11.340 1.215 1.00 0.00 C ATOM 0 HA PRO A 25 -17.197 -8.935 3.020 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.706 -11.493 4.439 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -18.274 -10.771 4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.838 -12.902 2.521 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -18.563 -12.646 2.692 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -17.375 -11.960 0.354 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -18.598 -10.891 1.012 1.00 0.00 H new ATOM 394 N ALA A 26 -14.480 -10.483 3.708 1.00 0.00 N ATOM 395 CA ALA A 26 -13.104 -10.422 4.300 1.00 0.00 C ATOM 396 C ALA A 26 -12.090 -9.389 3.749 1.00 0.00 C ATOM 397 O ALA A 26 -11.037 -9.210 4.329 1.00 0.00 O ATOM 398 CB ALA A 26 -12.548 -11.870 4.184 1.00 0.00 C ATOM 0 H ALA A 26 -14.734 -11.421 3.397 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.220 -10.047 5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.540 -11.907 4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.193 -12.553 4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.521 -12.166 3.135 1.00 0.00 H new ATOM 404 N VAL A 27 -12.429 -8.747 2.662 1.00 0.00 N ATOM 405 CA VAL A 27 -11.506 -7.729 2.040 1.00 0.00 C ATOM 406 C VAL A 27 -11.953 -6.268 2.185 1.00 0.00 C ATOM 407 O VAL A 27 -11.304 -5.456 2.812 1.00 0.00 O ATOM 408 CB VAL A 27 -11.367 -7.990 0.525 1.00 0.00 C ATOM 409 CG1 VAL A 27 -10.131 -7.230 0.020 1.00 0.00 C ATOM 410 CG2 VAL A 27 -11.171 -9.493 0.220 1.00 0.00 C ATOM 0 H VAL A 27 -13.312 -8.880 2.168 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.571 -7.853 2.586 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.279 -7.656 0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.012 -7.399 -1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.258 -6.164 0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.245 -7.587 0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.077 -9.637 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.267 -9.850 0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.030 -10.054 0.587 1.00 0.00 H new ATOM 420 N SER A 28 -13.063 -6.019 1.557 1.00 0.00 N ATOM 421 CA SER A 28 -13.707 -4.676 1.541 1.00 0.00 C ATOM 422 C SER A 28 -12.854 -3.329 1.634 1.00 0.00 C ATOM 423 O SER A 28 -12.912 -2.570 2.581 1.00 0.00 O ATOM 424 CB SER A 28 -14.817 -4.742 2.665 1.00 0.00 C ATOM 425 OG SER A 28 -14.250 -5.409 3.798 1.00 0.00 O ATOM 0 H SER A 28 -13.575 -6.725 1.029 1.00 0.00 H new ATOM 0 HA SER A 28 -14.054 -4.545 0.516 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.146 -3.739 2.937 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.695 -5.279 2.305 1.00 0.00 H new ATOM 0 HG SER A 28 -14.541 -6.345 3.806 1.00 0.00 H new ATOM 431 N ALA A 29 -12.084 -3.087 0.593 1.00 0.00 N ATOM 432 CA ALA A 29 -11.189 -1.871 0.452 1.00 0.00 C ATOM 433 C ALA A 29 -12.037 -0.559 0.332 1.00 0.00 C ATOM 434 O ALA A 29 -13.185 -0.638 -0.076 1.00 0.00 O ATOM 435 CB ALA A 29 -10.343 -2.151 -0.794 1.00 0.00 C ATOM 0 H ALA A 29 -12.035 -3.715 -0.209 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.555 -1.710 1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.665 -1.316 -0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.765 -3.063 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.997 -2.274 -1.658 1.00 0.00 H new ATOM 441 N TYR A 30 -11.504 0.603 0.645 1.00 0.00 N ATOM 442 CA TYR A 30 -12.303 1.876 0.564 1.00 0.00 C ATOM 443 C TYR A 30 -13.316 2.053 -0.555 1.00 0.00 C ATOM 444 O TYR A 30 -14.482 2.238 -0.272 1.00 0.00 O ATOM 445 CB TYR A 30 -11.324 3.090 0.525 1.00 0.00 C ATOM 446 CG TYR A 30 -11.669 3.940 1.759 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.946 4.461 1.874 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.752 4.191 2.757 1.00 0.00 C ATOM 449 CE1 TYR A 30 -13.304 5.217 2.966 1.00 0.00 C ATOM 450 CE2 TYR A 30 -11.117 4.953 3.854 1.00 0.00 C ATOM 451 CZ TYR A 30 -12.388 5.463 3.961 1.00 0.00 C ATOM 452 OH TYR A 30 -12.751 6.210 5.059 1.00 0.00 O ATOM 0 H TYR A 30 -10.540 0.726 0.956 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.924 1.814 1.458 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.286 2.758 0.556 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.448 3.664 -0.393 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.671 4.272 1.096 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.750 3.794 2.683 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.304 5.617 3.042 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.395 5.148 4.633 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.987 6.289 5.668 1.00 0.00 H new ATOM 462 N CYS A 31 -12.866 1.988 -1.773 1.00 0.00 N ATOM 463 CA CYS A 31 -13.838 2.155 -2.884 1.00 0.00 C ATOM 464 C CYS A 31 -14.369 0.809 -3.366 1.00 0.00 C ATOM 465 O CYS A 31 -15.117 0.799 -4.315 1.00 0.00 O ATOM 466 CB CYS A 31 -13.175 2.898 -4.087 1.00 0.00 C ATOM 467 SG CYS A 31 -13.233 4.703 -4.189 1.00 0.00 S ATOM 0 H CYS A 31 -11.895 1.831 -2.044 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.669 2.746 -2.499 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.125 2.607 -4.107 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.631 2.509 -4.997 1.00 0.00 H new ATOM 472 N ALA A 32 -14.027 -0.302 -2.757 1.00 0.00 N ATOM 473 CA ALA A 32 -14.553 -1.634 -3.241 1.00 0.00 C ATOM 474 C ALA A 32 -16.019 -1.549 -3.731 1.00 0.00 C ATOM 475 O ALA A 32 -16.313 -1.874 -4.861 1.00 0.00 O ATOM 476 CB ALA A 32 -14.430 -2.651 -2.092 1.00 0.00 C ATOM 0 H ALA A 32 -13.409 -0.351 -1.947 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.959 -1.949 -4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.805 -3.620 -2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.384 -2.747 -1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.014 -2.308 -1.238 1.00 0.00 H new ATOM 482 N THR A 33 -16.852 -1.112 -2.831 1.00 0.00 N ATOM 483 CA THR A 33 -18.324 -0.931 -3.059 1.00 0.00 C ATOM 484 C THR A 33 -18.691 -0.181 -4.352 1.00 0.00 C ATOM 485 O THR A 33 -19.762 -0.352 -4.895 1.00 0.00 O ATOM 486 CB THR A 33 -18.837 -0.203 -1.830 1.00 0.00 C ATOM 487 OG1 THR A 33 -18.534 -1.094 -0.763 1.00 0.00 O ATOM 488 CG2 THR A 33 -20.341 -0.097 -1.741 1.00 0.00 C ATOM 0 H THR A 33 -16.558 -0.856 -1.888 1.00 0.00 H new ATOM 0 HA THR A 33 -18.790 -1.906 -3.199 1.00 0.00 H new ATOM 0 HB THR A 33 -18.407 0.799 -1.829 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.832 -0.702 0.085 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.615 0.438 -0.832 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.720 0.444 -2.608 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.776 -1.096 -1.719 1.00 0.00 H new ATOM 496 N TRP A 34 -17.783 0.627 -4.811 1.00 0.00 N ATOM 497 CA TRP A 34 -17.965 1.443 -6.047 1.00 0.00 C ATOM 498 C TRP A 34 -17.122 0.914 -7.214 1.00 0.00 C ATOM 499 O TRP A 34 -17.606 0.820 -8.324 1.00 0.00 O ATOM 500 CB TRP A 34 -17.610 2.893 -5.599 1.00 0.00 C ATOM 501 CG TRP A 34 -18.693 3.288 -4.589 1.00 0.00 C ATOM 502 CD1 TRP A 34 -20.039 3.238 -4.818 1.00 0.00 C ATOM 503 CD2 TRP A 34 -18.476 3.702 -3.327 1.00 0.00 C ATOM 504 NE1 TRP A 34 -20.539 3.623 -3.662 1.00 0.00 N ATOM 505 CE2 TRP A 34 -19.677 3.923 -2.704 1.00 0.00 C ATOM 506 CE3 TRP A 34 -17.294 3.912 -2.652 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -19.701 4.348 -1.398 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -17.308 4.342 -1.336 1.00 0.00 C ATOM 509 CH2 TRP A 34 -18.520 4.556 -0.713 1.00 0.00 C ATOM 0 H TRP A 34 -16.878 0.763 -4.360 1.00 0.00 H new ATOM 0 HA TRP A 34 -18.978 1.400 -6.447 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -16.619 2.932 -5.147 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -17.599 3.575 -6.449 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -20.561 2.954 -5.720 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -21.546 3.687 -3.512 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -16.352 3.740 -3.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -20.647 4.520 -0.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -16.383 4.508 -0.804 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -18.545 4.888 0.315 1.00 0.00 H new ATOM 520 N ASP A 35 -15.906 0.549 -6.929 1.00 0.00 N ATOM 521 CA ASP A 35 -14.917 0.019 -7.918 1.00 0.00 C ATOM 522 C ASP A 35 -15.064 -1.459 -8.301 1.00 0.00 C ATOM 523 O ASP A 35 -14.981 -1.761 -9.474 1.00 0.00 O ATOM 524 CB ASP A 35 -13.544 0.227 -7.333 1.00 0.00 C ATOM 525 CG ASP A 35 -12.822 1.371 -8.015 1.00 0.00 C ATOM 526 OD1 ASP A 35 -13.198 2.499 -7.780 1.00 0.00 O ATOM 527 OD2 ASP A 35 -11.923 1.020 -8.752 1.00 0.00 O ATOM 0 H ASP A 35 -15.530 0.600 -5.982 1.00 0.00 H new ATOM 0 HA ASP A 35 -15.096 0.565 -8.844 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.628 0.432 -6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.960 -0.688 -7.436 1.00 0.00 H new ATOM 532 N ALA A 36 -15.261 -2.321 -7.339 1.00 0.00 N ATOM 533 CA ALA A 36 -15.418 -3.774 -7.636 1.00 0.00 C ATOM 534 C ALA A 36 -16.406 -3.981 -8.812 1.00 0.00 C ATOM 535 O ALA A 36 -16.287 -4.911 -9.580 1.00 0.00 O ATOM 536 CB ALA A 36 -15.882 -4.405 -6.305 1.00 0.00 C ATOM 0 H ALA A 36 -15.320 -2.077 -6.350 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.497 -4.252 -7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.021 -5.478 -6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.128 -4.230 -5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.825 -3.953 -5.997 1.00 0.00 H new ATOM 542 N SER A 37 -17.346 -3.078 -8.936 1.00 0.00 N ATOM 543 CA SER A 37 -18.397 -3.128 -10.013 1.00 0.00 C ATOM 544 C SER A 37 -17.980 -2.566 -11.395 1.00 0.00 C ATOM 545 O SER A 37 -18.751 -2.628 -12.335 1.00 0.00 O ATOM 546 CB SER A 37 -19.615 -2.342 -9.508 1.00 0.00 C ATOM 547 OG SER A 37 -19.211 -0.982 -9.698 1.00 0.00 O ATOM 0 H SER A 37 -17.435 -2.275 -8.313 1.00 0.00 H new ATOM 0 HA SER A 37 -18.599 -4.184 -10.190 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.515 -2.580 -10.075 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.831 -2.558 -8.462 1.00 0.00 H new ATOM 0 HG SER A 37 -18.636 -0.705 -8.954 1.00 0.00 H new ATOM 553 N LYS A 38 -16.794 -2.034 -11.526 1.00 0.00 N ATOM 554 CA LYS A 38 -16.353 -1.477 -12.850 1.00 0.00 C ATOM 555 C LYS A 38 -15.942 -2.611 -13.825 1.00 0.00 C ATOM 556 O LYS A 38 -15.200 -3.493 -13.436 1.00 0.00 O ATOM 557 CB LYS A 38 -15.140 -0.554 -12.623 1.00 0.00 C ATOM 558 CG LYS A 38 -15.489 0.741 -11.877 1.00 0.00 C ATOM 559 CD LYS A 38 -14.120 1.363 -11.472 1.00 0.00 C ATOM 560 CE LYS A 38 -14.267 2.764 -10.941 1.00 0.00 C ATOM 561 NZ LYS A 38 -14.549 3.630 -12.146 1.00 0.00 N ATOM 0 H LYS A 38 -16.107 -1.958 -10.776 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.185 -0.926 -13.288 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.381 -1.096 -12.059 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.700 -0.301 -13.588 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.057 1.420 -12.513 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.103 0.537 -11.000 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.648 0.737 -10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.457 1.372 -12.337 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.079 2.825 -10.216 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.359 3.087 -10.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.130 4.571 -12.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.134 3.192 -12.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.577 3.724 -12.273 1.00 0.00 H new ATOM 575 N PRO A 39 -16.381 -2.594 -15.063 1.00 0.00 N ATOM 576 CA PRO A 39 -15.959 -3.641 -16.046 1.00 0.00 C ATOM 577 C PRO A 39 -14.423 -3.825 -16.133 1.00 0.00 C ATOM 578 O PRO A 39 -13.718 -2.868 -16.388 1.00 0.00 O ATOM 579 CB PRO A 39 -16.601 -3.173 -17.367 1.00 0.00 C ATOM 580 CG PRO A 39 -16.746 -1.640 -17.139 1.00 0.00 C ATOM 581 CD PRO A 39 -17.286 -1.592 -15.694 1.00 0.00 C ATOM 0 HA PRO A 39 -16.289 -4.639 -15.757 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -15.971 -3.399 -18.228 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.565 -3.651 -17.543 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.794 -1.119 -17.238 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -17.435 -1.183 -17.849 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.195 -0.603 -15.245 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -18.336 -1.876 -15.629 1.00 0.00 H new ATOM 589 N LEU A 40 -13.971 -5.042 -15.923 1.00 0.00 N ATOM 590 CA LEU A 40 -12.546 -5.505 -15.948 1.00 0.00 C ATOM 591 C LEU A 40 -11.524 -4.581 -16.619 1.00 0.00 C ATOM 592 O LEU A 40 -10.398 -4.488 -16.182 1.00 0.00 O ATOM 593 CB LEU A 40 -12.573 -6.918 -16.614 1.00 0.00 C ATOM 594 CG LEU A 40 -12.084 -8.001 -15.612 1.00 0.00 C ATOM 595 CD1 LEU A 40 -12.316 -9.398 -16.216 1.00 0.00 C ATOM 596 CD2 LEU A 40 -10.564 -7.863 -15.392 1.00 0.00 C ATOM 0 H LEU A 40 -14.610 -5.809 -15.713 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.181 -5.514 -14.921 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -13.585 -7.151 -16.945 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.939 -6.921 -17.500 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.629 -7.874 -14.676 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.974 -10.159 -15.515 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.379 -9.537 -16.412 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.760 -9.488 -17.149 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.228 -8.625 -14.689 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.046 -7.992 -16.342 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.343 -6.875 -14.989 1.00 0.00 H new ATOM 608 N SER A 41 -11.936 -3.922 -17.665 1.00 0.00 N ATOM 609 CA SER A 41 -11.055 -2.990 -18.422 1.00 0.00 C ATOM 610 C SER A 41 -10.205 -2.080 -17.526 1.00 0.00 C ATOM 611 O SER A 41 -9.050 -2.347 -17.299 1.00 0.00 O ATOM 612 CB SER A 41 -11.946 -2.158 -19.320 1.00 0.00 C ATOM 613 OG SER A 41 -10.989 -1.277 -19.882 1.00 0.00 O ATOM 0 H SER A 41 -12.882 -3.994 -18.039 1.00 0.00 H new ATOM 0 HA SER A 41 -10.339 -3.581 -18.993 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.451 -2.759 -20.076 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.720 -1.630 -18.763 1.00 0.00 H new ATOM 0 HG SER A 41 -11.434 -0.664 -20.503 1.00 0.00 H new ATOM 619 N TRP A 42 -10.779 -1.027 -17.009 1.00 0.00 N ATOM 620 CA TRP A 42 -9.974 -0.103 -16.127 1.00 0.00 C ATOM 621 C TRP A 42 -9.213 -0.896 -15.018 1.00 0.00 C ATOM 622 O TRP A 42 -8.007 -0.802 -14.871 1.00 0.00 O ATOM 623 CB TRP A 42 -10.967 0.930 -15.537 1.00 0.00 C ATOM 624 CG TRP A 42 -10.184 2.083 -14.887 1.00 0.00 C ATOM 625 CD1 TRP A 42 -9.604 3.080 -15.611 1.00 0.00 C ATOM 626 CD2 TRP A 42 -9.934 2.284 -13.567 1.00 0.00 C ATOM 627 NE1 TRP A 42 -9.035 3.820 -14.685 1.00 0.00 N ATOM 628 CE2 TRP A 42 -9.175 3.428 -13.432 1.00 0.00 C ATOM 629 CE3 TRP A 42 -10.291 1.580 -12.427 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -8.774 3.869 -12.195 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -9.889 2.022 -11.180 1.00 0.00 C ATOM 632 CH2 TRP A 42 -9.129 3.167 -11.063 1.00 0.00 C ATOM 0 H TRP A 42 -11.754 -0.761 -17.150 1.00 0.00 H new ATOM 0 HA TRP A 42 -9.200 0.408 -16.699 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.617 1.315 -16.323 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -11.610 0.451 -14.798 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -9.610 3.227 -16.681 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.508 4.660 -14.924 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.886 0.683 -12.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.180 4.767 -12.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.171 1.470 -10.296 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -8.814 3.512 -10.089 1.00 0.00 H new ATOM 643 N ARG A 43 -9.991 -1.657 -14.295 1.00 0.00 N ATOM 644 CA ARG A 43 -9.477 -2.514 -13.173 1.00 0.00 C ATOM 645 C ARG A 43 -8.107 -3.168 -13.463 1.00 0.00 C ATOM 646 O ARG A 43 -7.183 -3.063 -12.689 1.00 0.00 O ATOM 647 CB ARG A 43 -10.539 -3.600 -12.893 1.00 0.00 C ATOM 648 CG ARG A 43 -11.876 -2.957 -12.481 1.00 0.00 C ATOM 649 CD ARG A 43 -12.430 -3.659 -11.248 1.00 0.00 C ATOM 650 NE ARG A 43 -11.389 -3.445 -10.185 1.00 0.00 N ATOM 651 CZ ARG A 43 -11.560 -2.551 -9.299 1.00 0.00 C ATOM 652 NH1 ARG A 43 -11.195 -1.380 -9.602 1.00 0.00 N ATOM 653 NH2 ARG A 43 -12.075 -2.902 -8.192 1.00 0.00 N ATOM 0 H ARG A 43 -10.999 -1.725 -14.438 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.312 -1.874 -12.306 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.683 -4.213 -13.782 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.189 -4.263 -12.102 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.731 -1.897 -12.272 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.591 -3.026 -13.301 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -13.391 -3.238 -10.951 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.591 -4.720 -11.436 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.545 -4.018 -10.175 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.788 -1.194 -10.518 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.308 -0.621 -8.930 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.337 -3.876 -8.037 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.227 -2.210 -7.458 1.00 0.00 H new ATOM 667 N SER A 44 -8.039 -3.828 -14.587 1.00 0.00 N ATOM 668 CA SER A 44 -6.782 -4.532 -15.032 1.00 0.00 C ATOM 669 C SER A 44 -5.878 -3.648 -15.923 1.00 0.00 C ATOM 670 O SER A 44 -4.676 -3.801 -15.883 1.00 0.00 O ATOM 671 CB SER A 44 -7.193 -5.787 -15.797 1.00 0.00 C ATOM 672 OG SER A 44 -7.922 -5.262 -16.898 1.00 0.00 O ATOM 0 H SER A 44 -8.819 -3.916 -15.239 1.00 0.00 H new ATOM 0 HA SER A 44 -6.195 -4.777 -14.147 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.327 -6.363 -16.123 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.805 -6.450 -15.186 1.00 0.00 H new ATOM 0 HG SER A 44 -8.876 -5.231 -16.674 1.00 0.00 H new ATOM 678 N LYS A 45 -6.469 -2.783 -16.711 1.00 0.00 N ATOM 679 CA LYS A 45 -5.752 -1.827 -17.634 1.00 0.00 C ATOM 680 C LYS A 45 -4.483 -1.315 -16.946 1.00 0.00 C ATOM 681 O LYS A 45 -3.403 -1.328 -17.500 1.00 0.00 O ATOM 682 CB LYS A 45 -6.719 -0.667 -17.960 1.00 0.00 C ATOM 683 CG LYS A 45 -5.940 0.437 -18.712 1.00 0.00 C ATOM 684 CD LYS A 45 -6.897 1.623 -19.036 1.00 0.00 C ATOM 685 CE LYS A 45 -6.184 2.963 -18.780 1.00 0.00 C ATOM 686 NZ LYS A 45 -5.926 3.025 -17.309 1.00 0.00 N ATOM 0 H LYS A 45 -7.484 -2.693 -16.757 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.455 -2.320 -18.560 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.547 -1.027 -18.571 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.150 -0.266 -17.043 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.105 0.786 -18.104 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.518 0.035 -19.633 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.220 1.567 -20.076 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.794 1.556 -18.420 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.251 3.021 -19.341 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.803 3.801 -19.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.406 3.856 -16.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.290 2.162 -16.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.903 3.100 -17.139 1.00 0.00 H new ATOM 700 N TYR A 46 -4.675 -0.851 -15.743 1.00 0.00 N ATOM 701 CA TYR A 46 -3.509 -0.334 -14.953 1.00 0.00 C ATOM 702 C TYR A 46 -3.196 -1.387 -13.853 1.00 0.00 C ATOM 703 O TYR A 46 -3.806 -2.426 -13.729 1.00 0.00 O ATOM 704 CB TYR A 46 -3.875 1.075 -14.307 1.00 0.00 C ATOM 705 CG TYR A 46 -2.986 2.304 -14.720 1.00 0.00 C ATOM 706 CD1 TYR A 46 -1.597 2.240 -14.880 1.00 0.00 C ATOM 707 CD2 TYR A 46 -3.579 3.548 -14.901 1.00 0.00 C ATOM 708 CE1 TYR A 46 -0.849 3.366 -15.201 1.00 0.00 C ATOM 709 CE2 TYR A 46 -2.821 4.667 -15.223 1.00 0.00 C ATOM 710 CZ TYR A 46 -1.456 4.578 -15.375 1.00 0.00 C ATOM 711 OH TYR A 46 -0.686 5.677 -15.694 1.00 0.00 O ATOM 0 H TYR A 46 -5.578 -0.805 -15.271 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.636 -0.185 -15.589 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.910 1.305 -14.561 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.828 0.973 -13.223 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.095 1.293 -14.751 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.649 3.647 -14.789 1.00 0.00 H new ATOM 0 HE1 TYR A 46 0.222 3.283 -15.314 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.310 5.621 -15.356 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.039 6.468 -15.236 1.00 0.00 H new ATOM 721 N GLY A 47 -2.224 -1.084 -13.041 1.00 0.00 N ATOM 722 CA GLY A 47 -1.844 -2.024 -11.942 1.00 0.00 C ATOM 723 C GLY A 47 -2.803 -1.871 -10.756 1.00 0.00 C ATOM 724 O GLY A 47 -3.969 -1.610 -10.964 1.00 0.00 O ATOM 0 H GLY A 47 -1.674 -0.227 -13.088 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.868 -3.051 -12.308 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.822 -1.824 -11.620 1.00 0.00 H new ATOM 728 N TRP A 48 -2.339 -1.994 -9.522 1.00 0.00 N ATOM 729 CA TRP A 48 -3.230 -1.881 -8.358 1.00 0.00 C ATOM 730 C TRP A 48 -2.509 -1.694 -7.071 1.00 0.00 C ATOM 731 O TRP A 48 -1.678 -2.513 -6.748 1.00 0.00 O ATOM 732 CB TRP A 48 -4.090 -3.131 -7.955 1.00 0.00 C ATOM 733 CG TRP A 48 -5.492 -2.689 -7.469 1.00 0.00 C ATOM 734 CD1 TRP A 48 -5.835 -1.435 -7.323 1.00 0.00 C ATOM 735 CD2 TRP A 48 -6.595 -3.394 -7.239 1.00 0.00 C ATOM 736 NE1 TRP A 48 -7.128 -1.472 -7.049 1.00 0.00 N ATOM 737 CE2 TRP A 48 -7.677 -2.638 -6.968 1.00 0.00 C ATOM 738 CE3 TRP A 48 -6.681 -4.701 -7.243 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -8.880 -3.193 -6.699 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -7.893 -5.326 -6.967 1.00 0.00 C ATOM 741 CH2 TRP A 48 -8.994 -4.558 -6.698 1.00 0.00 C ATOM 0 H TRP A 48 -1.361 -2.171 -9.293 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.833 -1.051 -8.725 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.189 -3.802 -8.808 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.584 -3.689 -7.167 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.203 -0.563 -7.407 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.668 -0.618 -6.908 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.807 -5.296 -7.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.737 -2.570 -6.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -7.964 -6.404 -6.965 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.945 -5.025 -6.487 1.00 0.00 H new ATOM 752 N THR A 49 -2.851 -0.613 -6.465 1.00 0.00 N ATOM 753 CA THR A 49 -2.245 -0.341 -5.135 1.00 0.00 C ATOM 754 C THR A 49 -3.184 0.056 -3.960 1.00 0.00 C ATOM 755 O THR A 49 -3.626 1.202 -3.840 1.00 0.00 O ATOM 756 CB THR A 49 -1.134 0.781 -5.188 1.00 0.00 C ATOM 757 OG1 THR A 49 -1.768 1.979 -5.609 1.00 0.00 O ATOM 758 CG2 THR A 49 -0.092 0.497 -6.230 1.00 0.00 C ATOM 0 H THR A 49 -3.507 0.086 -6.813 1.00 0.00 H new ATOM 0 HA THR A 49 -1.854 -1.334 -4.916 1.00 0.00 H new ATOM 0 HB THR A 49 -0.666 0.838 -4.205 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.709 1.965 -5.335 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.650 1.295 -6.229 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.396 -0.452 -6.008 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.564 0.441 -7.211 1.00 0.00 H new ATOM 766 N ALA A 50 -3.556 -0.907 -3.129 1.00 0.00 N ATOM 767 CA ALA A 50 -4.413 -0.407 -1.949 1.00 0.00 C ATOM 768 C ALA A 50 -3.140 0.067 -1.203 1.00 0.00 C ATOM 769 O ALA A 50 -2.355 -0.772 -0.808 1.00 0.00 O ATOM 770 CB ALA A 50 -5.059 -1.444 -0.952 1.00 0.00 C ATOM 0 H ALA A 50 -3.344 -1.903 -3.184 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.270 0.192 -2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.625 -0.911 -0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.727 -2.109 -1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.273 -2.031 -0.477 1.00 0.00 H new ATOM 776 N PHE A 51 -3.008 1.360 -1.073 1.00 0.00 N ATOM 777 CA PHE A 51 -1.829 2.010 -0.403 1.00 0.00 C ATOM 778 C PHE A 51 -1.837 2.119 1.133 1.00 0.00 C ATOM 779 O PHE A 51 -2.855 2.147 1.784 1.00 0.00 O ATOM 780 CB PHE A 51 -1.693 3.441 -1.040 1.00 0.00 C ATOM 781 CG PHE A 51 -0.456 4.190 -0.497 1.00 0.00 C ATOM 782 CD1 PHE A 51 0.804 3.723 -0.796 1.00 0.00 C ATOM 783 CD2 PHE A 51 -0.570 5.316 0.302 1.00 0.00 C ATOM 784 CE1 PHE A 51 1.931 4.354 -0.312 1.00 0.00 C ATOM 785 CE2 PHE A 51 0.558 5.954 0.790 1.00 0.00 C ATOM 786 CZ PHE A 51 1.815 5.472 0.484 1.00 0.00 C ATOM 0 H PHE A 51 -3.699 2.026 -1.418 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.981 1.348 -0.580 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.618 3.352 -2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.592 4.021 -0.829 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.912 2.848 -1.420 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.549 5.700 0.547 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.910 3.969 -0.559 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.454 6.831 1.412 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.697 5.966 0.864 1.00 0.00 H new ATOM 796 N CYS A 52 -0.648 2.167 1.682 1.00 0.00 N ATOM 797 CA CYS A 52 -0.476 2.284 3.189 1.00 0.00 C ATOM 798 C CYS A 52 0.909 2.912 3.493 1.00 0.00 C ATOM 799 O CYS A 52 1.578 3.341 2.579 1.00 0.00 O ATOM 800 CB CYS A 52 -0.492 0.905 3.894 1.00 0.00 C ATOM 801 SG CYS A 52 -1.286 -0.568 3.208 1.00 0.00 S ATOM 0 H CYS A 52 0.226 2.131 1.157 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.305 2.890 3.555 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.551 0.638 4.065 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.944 1.068 4.872 1.00 0.00 H new ATOM 806 N GLY A 53 1.307 2.948 4.744 1.00 0.00 N ATOM 807 CA GLY A 53 2.651 3.531 5.115 1.00 0.00 C ATOM 808 C GLY A 53 2.619 4.544 6.262 1.00 0.00 C ATOM 809 O GLY A 53 1.616 4.651 6.938 1.00 0.00 O ATOM 0 H GLY A 53 0.761 2.599 5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.322 2.716 5.388 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.077 4.013 4.235 1.00 0.00 H new ATOM 813 N PRO A 54 3.724 5.241 6.458 1.00 0.00 N ATOM 814 CA PRO A 54 3.779 6.510 7.255 1.00 0.00 C ATOM 815 C PRO A 54 3.558 7.870 6.522 1.00 0.00 C ATOM 816 O PRO A 54 2.646 8.608 6.845 1.00 0.00 O ATOM 817 CB PRO A 54 5.147 6.402 7.905 1.00 0.00 C ATOM 818 CG PRO A 54 6.022 5.836 6.737 1.00 0.00 C ATOM 819 CD PRO A 54 5.085 4.847 5.969 1.00 0.00 C ATOM 0 HA PRO A 54 2.926 6.564 7.931 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.510 7.369 8.254 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.137 5.735 8.767 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.372 6.635 6.084 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.906 5.326 7.118 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.176 4.959 4.889 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.314 3.807 6.202 1.00 0.00 H new ATOM 827 N ALA A 55 4.374 8.190 5.547 1.00 0.00 N ATOM 828 CA ALA A 55 4.193 9.494 4.831 1.00 0.00 C ATOM 829 C ALA A 55 3.283 9.276 3.618 1.00 0.00 C ATOM 830 O ALA A 55 3.337 8.247 2.975 1.00 0.00 O ATOM 831 CB ALA A 55 5.602 9.994 4.428 1.00 0.00 C ATOM 0 H ALA A 55 5.149 7.614 5.218 1.00 0.00 H new ATOM 0 HA ALA A 55 3.716 10.247 5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.514 10.945 3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.210 10.129 5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.075 9.261 3.775 1.00 0.00 H new ATOM 837 N GLY A 56 2.482 10.261 3.332 1.00 0.00 N ATOM 838 CA GLY A 56 1.531 10.163 2.172 1.00 0.00 C ATOM 839 C GLY A 56 0.087 9.851 2.637 1.00 0.00 C ATOM 840 O GLY A 56 -0.587 9.082 1.986 1.00 0.00 O ATOM 0 H GLY A 56 2.438 11.139 3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.539 11.100 1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.869 9.384 1.489 1.00 0.00 H new ATOM 844 N PRO A 57 -0.380 10.440 3.717 1.00 0.00 N ATOM 845 CA PRO A 57 -1.744 10.156 4.247 1.00 0.00 C ATOM 846 C PRO A 57 -2.763 10.692 3.227 1.00 0.00 C ATOM 847 O PRO A 57 -3.012 11.879 3.144 1.00 0.00 O ATOM 848 CB PRO A 57 -1.758 10.873 5.604 1.00 0.00 C ATOM 849 CG PRO A 57 -0.848 12.095 5.297 1.00 0.00 C ATOM 850 CD PRO A 57 0.324 11.449 4.549 1.00 0.00 C ATOM 0 HA PRO A 57 -1.998 9.105 4.387 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.763 11.171 5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.358 10.251 6.404 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.359 12.840 4.687 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.522 12.598 6.207 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.872 12.170 3.943 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.043 10.992 5.229 1.00 0.00 H new ATOM 858 N ARG A 58 -3.293 9.809 2.431 1.00 0.00 N ATOM 859 CA ARG A 58 -4.300 10.188 1.401 1.00 0.00 C ATOM 860 C ARG A 58 -5.326 9.057 1.369 1.00 0.00 C ATOM 861 O ARG A 58 -5.120 8.065 0.697 1.00 0.00 O ATOM 862 CB ARG A 58 -3.538 10.342 0.109 1.00 0.00 C ATOM 863 CG ARG A 58 -4.261 11.296 -0.901 1.00 0.00 C ATOM 864 CD ARG A 58 -3.991 12.786 -0.551 1.00 0.00 C ATOM 865 NE ARG A 58 -2.525 13.054 -0.748 1.00 0.00 N ATOM 866 CZ ARG A 58 -1.832 13.634 0.155 1.00 0.00 C ATOM 867 NH1 ARG A 58 -1.435 12.978 1.164 1.00 0.00 N ATOM 868 NH2 ARG A 58 -1.558 14.863 0.008 1.00 0.00 N ATOM 0 H ARG A 58 -3.065 8.815 2.451 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.832 11.119 1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.542 10.730 0.322 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.407 9.363 -0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.916 11.088 -1.914 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.334 11.103 -0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.586 13.440 -1.188 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.281 12.994 0.479 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.076 12.768 -1.618 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.669 11.989 1.254 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.882 13.439 1.886 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.889 15.364 -0.816 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.006 15.350 0.714 1.00 0.00 H new ATOM 882 N GLY A 59 -6.391 9.216 2.112 1.00 0.00 N ATOM 883 CA GLY A 59 -7.464 8.155 2.139 1.00 0.00 C ATOM 884 C GLY A 59 -8.685 8.759 1.442 1.00 0.00 C ATOM 885 O GLY A 59 -8.858 8.555 0.263 1.00 0.00 O ATOM 0 H GLY A 59 -6.571 10.028 2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.131 7.252 1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.703 7.870 3.164 1.00 0.00 H new ATOM 889 N GLN A 60 -9.484 9.476 2.183 1.00 0.00 N ATOM 890 CA GLN A 60 -10.732 10.155 1.665 1.00 0.00 C ATOM 891 C GLN A 60 -10.771 10.396 0.107 1.00 0.00 C ATOM 892 O GLN A 60 -11.202 9.578 -0.684 1.00 0.00 O ATOM 893 CB GLN A 60 -10.813 11.490 2.472 1.00 0.00 C ATOM 894 CG GLN A 60 -11.143 11.214 3.973 1.00 0.00 C ATOM 895 CD GLN A 60 -10.896 12.466 4.828 1.00 0.00 C ATOM 896 OE1 GLN A 60 -9.779 12.804 5.145 1.00 0.00 O ATOM 897 NE2 GLN A 60 -11.885 13.195 5.230 1.00 0.00 N ATOM 0 H GLN A 60 -9.322 9.632 3.178 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.598 9.509 1.814 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.866 12.024 2.396 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.578 12.135 2.040 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.183 10.902 4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.529 10.392 4.339 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.841 12.940 4.981 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.710 14.025 5.796 1.00 0.00 H new ATOM 906 N ALA A 61 -10.297 11.546 -0.301 1.00 0.00 N ATOM 907 CA ALA A 61 -10.260 11.926 -1.750 1.00 0.00 C ATOM 908 C ALA A 61 -8.920 11.458 -2.385 1.00 0.00 C ATOM 909 O ALA A 61 -8.132 12.203 -2.960 1.00 0.00 O ATOM 910 CB ALA A 61 -10.458 13.459 -1.808 1.00 0.00 C ATOM 0 H ALA A 61 -9.923 12.258 0.327 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.047 11.442 -2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.439 13.789 -2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.418 13.719 -1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.657 13.950 -1.256 1.00 0.00 H new ATOM 916 N ALA A 62 -8.689 10.183 -2.231 1.00 0.00 N ATOM 917 CA ALA A 62 -7.435 9.584 -2.796 1.00 0.00 C ATOM 918 C ALA A 62 -7.780 8.635 -3.967 1.00 0.00 C ATOM 919 O ALA A 62 -7.120 8.707 -4.988 1.00 0.00 O ATOM 920 CB ALA A 62 -6.730 8.863 -1.646 1.00 0.00 C ATOM 0 H ALA A 62 -9.304 9.531 -1.744 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.772 10.345 -3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.808 8.410 -2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.495 9.578 -0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.383 8.087 -1.248 1.00 0.00 H new ATOM 926 N CYS A 63 -8.779 7.809 -3.749 1.00 0.00 N ATOM 927 CA CYS A 63 -9.284 6.811 -4.764 1.00 0.00 C ATOM 928 C CYS A 63 -9.686 7.562 -6.066 1.00 0.00 C ATOM 929 O CYS A 63 -10.833 7.804 -6.395 1.00 0.00 O ATOM 930 CB CYS A 63 -10.489 6.061 -4.121 1.00 0.00 C ATOM 931 SG CYS A 63 -11.584 5.171 -5.260 1.00 0.00 S ATOM 0 H CYS A 63 -9.291 7.783 -2.867 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.519 6.084 -5.036 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.100 5.348 -3.394 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.087 6.785 -3.568 1.00 0.00 H new ATOM 936 N GLY A 64 -8.637 7.905 -6.761 1.00 0.00 N ATOM 937 CA GLY A 64 -8.722 8.652 -8.055 1.00 0.00 C ATOM 938 C GLY A 64 -7.340 9.038 -8.580 1.00 0.00 C ATOM 939 O GLY A 64 -7.180 9.193 -9.771 1.00 0.00 O ATOM 0 H GLY A 64 -7.682 7.690 -6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.234 8.038 -8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.322 9.551 -7.917 1.00 0.00 H new ATOM 943 N LYS A 65 -6.371 9.177 -7.710 1.00 0.00 N ATOM 944 CA LYS A 65 -5.004 9.562 -8.193 1.00 0.00 C ATOM 945 C LYS A 65 -4.014 8.388 -8.215 1.00 0.00 C ATOM 946 O LYS A 65 -4.276 7.285 -7.774 1.00 0.00 O ATOM 947 CB LYS A 65 -4.475 10.700 -7.274 1.00 0.00 C ATOM 948 CG LYS A 65 -5.205 12.023 -7.644 1.00 0.00 C ATOM 949 CD LYS A 65 -4.576 13.233 -6.889 1.00 0.00 C ATOM 950 CE LYS A 65 -4.663 13.076 -5.360 1.00 0.00 C ATOM 951 NZ LYS A 65 -6.107 12.904 -4.970 1.00 0.00 N ATOM 0 H LYS A 65 -6.461 9.044 -6.703 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.088 9.895 -9.227 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.650 10.452 -6.227 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.398 10.816 -7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.144 12.188 -8.720 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.263 11.942 -7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.532 13.339 -7.182 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.085 14.149 -7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.079 12.214 -5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.241 13.951 -4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.207 13.034 -3.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.687 13.610 -5.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.426 11.949 -5.231 1.00 0.00 H new ATOM 965 N CYS A 66 -2.858 8.679 -8.745 1.00 0.00 N ATOM 966 CA CYS A 66 -1.782 7.665 -8.849 1.00 0.00 C ATOM 967 C CYS A 66 -0.593 7.988 -7.905 1.00 0.00 C ATOM 968 O CYS A 66 -0.399 9.063 -7.370 1.00 0.00 O ATOM 969 CB CYS A 66 -1.344 7.607 -10.353 1.00 0.00 C ATOM 970 SG CYS A 66 -2.278 6.533 -11.478 1.00 0.00 S ATOM 0 H CYS A 66 -2.613 9.597 -9.117 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.147 6.689 -8.528 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.385 8.621 -10.751 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -0.300 7.294 -10.384 1.00 0.00 H new ATOM 975 N LEU A 67 0.201 6.984 -7.728 1.00 0.00 N ATOM 976 CA LEU A 67 1.421 7.032 -6.856 1.00 0.00 C ATOM 977 C LEU A 67 2.609 6.662 -7.767 1.00 0.00 C ATOM 978 O LEU A 67 2.652 5.547 -8.239 1.00 0.00 O ATOM 979 CB LEU A 67 1.216 5.996 -5.709 1.00 0.00 C ATOM 980 CG LEU A 67 1.589 6.579 -4.344 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.419 5.446 -3.300 1.00 0.00 C ATOM 982 CD2 LEU A 67 3.053 7.033 -4.355 1.00 0.00 C ATOM 0 H LEU A 67 0.055 6.077 -8.172 1.00 0.00 H new ATOM 0 HA LEU A 67 1.602 8.006 -6.402 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.176 5.672 -5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.823 5.112 -5.905 1.00 0.00 H new ATOM 0 HG LEU A 67 0.957 7.435 -4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.676 5.822 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.384 5.103 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.077 4.615 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.313 7.447 -3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.697 6.180 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.192 7.795 -5.122 1.00 0.00 H new ATOM 994 N ARG A 68 3.554 7.526 -8.034 1.00 0.00 N ATOM 995 CA ARG A 68 4.682 7.097 -8.936 1.00 0.00 C ATOM 996 C ARG A 68 5.731 6.374 -8.064 1.00 0.00 C ATOM 997 O ARG A 68 6.035 6.878 -7.000 1.00 0.00 O ATOM 998 CB ARG A 68 5.291 8.351 -9.588 1.00 0.00 C ATOM 999 CG ARG A 68 6.251 7.907 -10.724 1.00 0.00 C ATOM 1000 CD ARG A 68 7.081 9.099 -11.244 1.00 0.00 C ATOM 1001 NE ARG A 68 7.969 9.568 -10.112 1.00 0.00 N ATOM 1002 CZ ARG A 68 9.240 9.522 -10.181 1.00 0.00 C ATOM 1003 NH1 ARG A 68 9.700 8.368 -10.378 1.00 0.00 N ATOM 1004 NH2 ARG A 68 9.939 10.578 -10.049 1.00 0.00 N ATOM 0 H ARG A 68 3.602 8.482 -7.683 1.00 0.00 H new ATOM 0 HA ARG A 68 4.335 6.426 -9.722 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.503 8.989 -9.988 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.831 8.938 -8.845 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.918 7.127 -10.357 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.676 7.475 -11.543 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.682 8.801 -12.103 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.427 9.905 -11.576 1.00 0.00 H new ATOM 0 HE ARG A 68 7.535 9.934 -9.265 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.065 7.574 -10.467 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.708 8.226 -10.449 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.482 11.475 -9.886 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.956 10.527 -10.106 1.00 0.00 H new ATOM 1018 N VAL A 69 6.265 5.258 -8.501 1.00 0.00 N ATOM 1019 CA VAL A 69 7.292 4.512 -7.676 1.00 0.00 C ATOM 1020 C VAL A 69 8.606 4.212 -8.445 1.00 0.00 C ATOM 1021 O VAL A 69 8.571 3.631 -9.513 1.00 0.00 O ATOM 1022 CB VAL A 69 6.672 3.175 -7.201 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.651 2.499 -6.210 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.338 3.429 -6.478 1.00 0.00 C ATOM 0 H VAL A 69 6.038 4.824 -9.396 1.00 0.00 H new ATOM 0 HA VAL A 69 7.557 5.156 -6.838 1.00 0.00 H new ATOM 0 HB VAL A 69 6.494 2.537 -8.067 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.227 1.555 -5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.601 2.310 -6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.815 3.155 -5.355 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.915 2.479 -6.150 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.510 4.068 -5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.643 3.920 -7.159 1.00 0.00 H new ATOM 1034 N THR A 70 9.715 4.630 -7.871 1.00 0.00 N ATOM 1035 CA THR A 70 11.107 4.431 -8.459 1.00 0.00 C ATOM 1036 C THR A 70 12.178 3.814 -7.491 1.00 0.00 C ATOM 1037 O THR A 70 12.211 4.129 -6.311 1.00 0.00 O ATOM 1038 CB THR A 70 11.613 5.799 -8.951 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.737 6.182 -10.005 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.983 5.652 -9.635 1.00 0.00 C ATOM 0 H THR A 70 9.721 5.124 -6.979 1.00 0.00 H new ATOM 0 HA THR A 70 10.993 3.698 -9.258 1.00 0.00 H new ATOM 0 HB THR A 70 11.665 6.492 -8.112 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.260 6.374 -10.811 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.326 6.629 -9.977 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.702 5.243 -8.925 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.893 4.980 -10.488 1.00 0.00 H new ATOM 1048 N ASN A 71 13.003 2.978 -8.074 1.00 0.00 N ATOM 1049 CA ASN A 71 14.116 2.250 -7.379 1.00 0.00 C ATOM 1050 C ASN A 71 15.550 2.745 -7.747 1.00 0.00 C ATOM 1051 O ASN A 71 16.187 2.167 -8.611 1.00 0.00 O ATOM 1052 CB ASN A 71 13.908 0.760 -7.738 1.00 0.00 C ATOM 1053 CG ASN A 71 14.941 -0.130 -7.056 1.00 0.00 C ATOM 1054 OD1 ASN A 71 15.340 -1.246 -7.557 1.00 0.00 O flip ATOM 1055 ND2 ASN A 71 15.433 0.171 -5.995 1.00 0.00 N flip ATOM 0 H ASN A 71 12.944 2.758 -9.068 1.00 0.00 H new ATOM 0 HA ASN A 71 14.067 2.436 -6.306 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.906 0.450 -7.441 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.974 0.633 -8.819 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.165 1.042 -5.537 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.117 -0.446 -5.557 1.00 0.00 H new ATOM 1062 N PRO A 72 16.042 3.790 -7.096 1.00 0.00 N ATOM 1063 CA PRO A 72 17.317 4.469 -7.505 1.00 0.00 C ATOM 1064 C PRO A 72 18.424 3.450 -7.807 1.00 0.00 C ATOM 1065 O PRO A 72 19.166 3.563 -8.758 1.00 0.00 O ATOM 1066 CB PRO A 72 17.625 5.405 -6.324 1.00 0.00 C ATOM 1067 CG PRO A 72 16.207 5.807 -5.867 1.00 0.00 C ATOM 1068 CD PRO A 72 15.457 4.443 -5.881 1.00 0.00 C ATOM 0 HA PRO A 72 17.237 5.030 -8.436 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.182 4.899 -5.535 1.00 0.00 H new ATOM 0 HB3 PRO A 72 18.217 6.268 -6.629 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.212 6.259 -4.875 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.751 6.529 -6.544 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.642 3.864 -4.976 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.378 4.570 -5.964 1.00 0.00 H new ATOM 1076 N ALA A 73 18.474 2.472 -6.942 1.00 0.00 N ATOM 1077 CA ALA A 73 19.467 1.366 -7.031 1.00 0.00 C ATOM 1078 C ALA A 73 19.540 0.655 -8.406 1.00 0.00 C ATOM 1079 O ALA A 73 20.620 0.322 -8.852 1.00 0.00 O ATOM 1080 CB ALA A 73 19.108 0.379 -5.904 1.00 0.00 C ATOM 0 H ALA A 73 17.840 2.394 -6.147 1.00 0.00 H new ATOM 0 HA ALA A 73 20.467 1.784 -6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.805 -0.459 -5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.171 0.887 -4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 73 18.094 0.009 -6.054 1.00 0.00 H new ATOM 1086 N THR A 74 18.419 0.430 -9.046 1.00 0.00 N ATOM 1087 CA THR A 74 18.452 -0.266 -10.389 1.00 0.00 C ATOM 1088 C THR A 74 17.960 0.624 -11.519 1.00 0.00 C ATOM 1089 O THR A 74 18.331 0.435 -12.660 1.00 0.00 O ATOM 1090 CB THR A 74 17.569 -1.548 -10.368 1.00 0.00 C ATOM 1091 OG1 THR A 74 16.236 -1.127 -10.086 1.00 0.00 O ATOM 1092 CG2 THR A 74 17.911 -2.470 -9.207 1.00 0.00 C ATOM 0 H THR A 74 17.491 0.690 -8.711 1.00 0.00 H new ATOM 0 HA THR A 74 19.496 -0.520 -10.570 1.00 0.00 H new ATOM 0 HB THR A 74 17.712 -2.062 -11.318 1.00 0.00 H new ATOM 0 HG1 THR A 74 16.121 -1.031 -9.117 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.267 -3.349 -9.238 1.00 0.00 H new ATOM 0 HG22 THR A 74 18.953 -2.781 -9.284 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.759 -1.942 -8.266 1.00 0.00 H new ATOM 1100 N GLY A 75 17.127 1.568 -11.177 1.00 0.00 N ATOM 1101 CA GLY A 75 16.565 2.512 -12.199 1.00 0.00 C ATOM 1102 C GLY A 75 15.130 2.111 -12.514 1.00 0.00 C ATOM 1103 O GLY A 75 14.437 2.815 -13.219 1.00 0.00 O ATOM 0 H GLY A 75 16.805 1.732 -10.223 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.595 3.535 -11.823 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.170 2.488 -13.106 1.00 0.00 H new ATOM 1107 N ALA A 76 14.725 0.988 -11.976 1.00 0.00 N ATOM 1108 CA ALA A 76 13.339 0.482 -12.215 1.00 0.00 C ATOM 1109 C ALA A 76 12.278 1.460 -11.658 1.00 0.00 C ATOM 1110 O ALA A 76 12.327 1.863 -10.509 1.00 0.00 O ATOM 1111 CB ALA A 76 13.258 -0.934 -11.547 1.00 0.00 C ATOM 0 H ALA A 76 15.300 0.396 -11.377 1.00 0.00 H new ATOM 0 HA ALA A 76 13.125 0.406 -13.281 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.261 -1.349 -11.694 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.996 -1.594 -12.002 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.460 -0.845 -10.480 1.00 0.00 H new ATOM 1117 N GLN A 77 11.351 1.830 -12.510 1.00 0.00 N ATOM 1118 CA GLN A 77 10.246 2.770 -12.119 1.00 0.00 C ATOM 1119 C GLN A 77 8.908 2.511 -12.850 1.00 0.00 C ATOM 1120 O GLN A 77 8.867 2.165 -14.016 1.00 0.00 O ATOM 1121 CB GLN A 77 10.705 4.225 -12.395 1.00 0.00 C ATOM 1122 CG GLN A 77 11.075 4.448 -13.889 1.00 0.00 C ATOM 1123 CD GLN A 77 11.421 5.926 -14.114 1.00 0.00 C ATOM 1124 OE1 GLN A 77 10.733 6.814 -13.661 1.00 0.00 O ATOM 1125 NE2 GLN A 77 12.455 6.300 -14.793 1.00 0.00 N ATOM 0 H GLN A 77 11.311 1.515 -13.479 1.00 0.00 H new ATOM 0 HA GLN A 77 10.053 2.601 -11.060 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.910 4.915 -12.112 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.567 4.458 -11.770 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.922 3.819 -14.163 1.00 0.00 H new ATOM 0 HG3 GLN A 77 10.242 4.157 -14.529 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.076 5.602 -15.202 1.00 0.00 H new ATOM 0 HE22 GLN A 77 12.650 7.293 -14.920 1.00 0.00 H new ATOM 1134 N ILE A 78 7.847 2.685 -12.106 1.00 0.00 N ATOM 1135 CA ILE A 78 6.454 2.489 -12.640 1.00 0.00 C ATOM 1136 C ILE A 78 5.389 3.486 -12.085 1.00 0.00 C ATOM 1137 O ILE A 78 5.621 4.168 -11.104 1.00 0.00 O ATOM 1138 CB ILE A 78 6.106 1.041 -12.309 1.00 0.00 C ATOM 1139 CG1 ILE A 78 5.015 0.503 -13.268 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.574 0.914 -10.856 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.436 -0.894 -13.738 1.00 0.00 C ATOM 0 H ILE A 78 7.883 2.962 -11.125 1.00 0.00 H new ATOM 0 HA ILE A 78 6.436 2.697 -13.710 1.00 0.00 H new ATOM 0 HB ILE A 78 7.021 0.460 -12.421 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.051 0.459 -12.761 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.896 1.171 -14.121 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.334 -0.128 -10.646 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.337 1.258 -10.158 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.677 1.523 -10.742 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.681 -1.293 -14.416 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.392 -0.830 -14.257 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.535 -1.554 -12.876 1.00 0.00 H new ATOM 1153 N THR A 79 4.243 3.538 -12.710 1.00 0.00 N ATOM 1154 CA THR A 79 3.142 4.467 -12.247 1.00 0.00 C ATOM 1155 C THR A 79 2.088 3.675 -11.489 1.00 0.00 C ATOM 1156 O THR A 79 1.499 2.831 -12.118 1.00 0.00 O ATOM 1157 CB THR A 79 2.437 5.135 -13.451 1.00 0.00 C ATOM 1158 OG1 THR A 79 3.316 6.168 -13.841 1.00 0.00 O ATOM 1159 CG2 THR A 79 1.166 5.873 -13.034 1.00 0.00 C ATOM 0 H THR A 79 4.010 2.977 -13.529 1.00 0.00 H new ATOM 0 HA THR A 79 3.598 5.228 -11.613 1.00 0.00 H new ATOM 0 HB THR A 79 2.199 4.379 -14.199 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.939 6.645 -14.609 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.704 6.327 -13.911 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.469 5.169 -12.580 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.417 6.651 -12.313 1.00 0.00 H new ATOM 1167 N ALA A 80 1.834 3.910 -10.229 1.00 0.00 N ATOM 1168 CA ALA A 80 0.783 3.105 -9.519 1.00 0.00 C ATOM 1169 C ALA A 80 -0.566 3.853 -9.416 1.00 0.00 C ATOM 1170 O ALA A 80 -0.616 5.049 -9.571 1.00 0.00 O ATOM 1171 CB ALA A 80 1.285 2.771 -8.130 1.00 0.00 C ATOM 0 H ALA A 80 2.301 4.617 -9.661 1.00 0.00 H new ATOM 0 HA ALA A 80 0.603 2.199 -10.098 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.532 2.186 -7.602 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.206 2.193 -8.205 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.479 3.693 -7.582 1.00 0.00 H new ATOM 1177 N ARG A 81 -1.596 3.105 -9.145 1.00 0.00 N ATOM 1178 CA ARG A 81 -2.996 3.615 -9.014 1.00 0.00 C ATOM 1179 C ARG A 81 -3.583 3.453 -7.580 1.00 0.00 C ATOM 1180 O ARG A 81 -4.050 2.391 -7.191 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.825 2.844 -10.132 1.00 0.00 C ATOM 1182 CG ARG A 81 -3.261 1.390 -10.379 1.00 0.00 C ATOM 1183 CD ARG A 81 -2.001 1.490 -11.280 1.00 0.00 C ATOM 1184 NE ARG A 81 -1.003 0.430 -10.890 1.00 0.00 N ATOM 1185 CZ ARG A 81 0.148 0.355 -11.457 1.00 0.00 C ATOM 1186 NH1 ARG A 81 0.309 0.895 -12.601 1.00 0.00 N ATOM 1187 NH2 ARG A 81 1.065 -0.264 -10.820 1.00 0.00 N ATOM 0 H ARG A 81 -1.521 2.098 -9.000 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.040 4.694 -9.165 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.871 2.782 -9.832 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.793 3.410 -11.063 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.010 0.916 -9.430 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.018 0.767 -10.856 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.282 1.370 -12.326 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.551 2.478 -11.182 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.246 -0.241 -10.161 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.469 1.377 -13.052 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.216 0.845 -13.065 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.866 -0.670 -9.906 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.997 -0.352 -11.225 1.00 0.00 H new ATOM 1201 N ILE A 82 -3.524 4.538 -6.842 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.038 4.583 -5.430 1.00 0.00 C ATOM 1203 C ILE A 82 -5.531 4.210 -5.417 1.00 0.00 C ATOM 1204 O ILE A 82 -6.362 5.022 -5.793 1.00 0.00 O ATOM 1205 CB ILE A 82 -3.862 6.024 -4.843 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.355 6.393 -4.784 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.393 6.007 -3.389 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.193 7.915 -4.495 1.00 0.00 C ATOM 0 H ILE A 82 -3.130 5.420 -7.168 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.474 3.875 -4.822 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.395 6.742 -5.466 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.859 5.812 -4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.872 6.140 -5.728 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.284 6.999 -2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.446 5.724 -3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.823 5.286 -2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.133 8.167 -4.455 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.673 8.489 -5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.660 8.156 -3.540 1.00 0.00 H new ATOM 1220 N VAL A 83 -5.817 2.996 -4.987 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.259 2.548 -4.942 1.00 0.00 C ATOM 1222 C VAL A 83 -7.760 2.542 -3.493 1.00 0.00 C ATOM 1223 O VAL A 83 -8.819 3.044 -3.194 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.422 1.083 -5.546 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -6.741 0.031 -4.595 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -8.964 0.732 -5.714 1.00 0.00 C ATOM 0 H VAL A 83 -5.133 2.308 -4.671 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.845 3.247 -5.539 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.939 1.049 -6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.857 -0.968 -5.015 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.680 0.262 -4.497 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.213 0.069 -3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.066 -0.271 -6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.455 0.775 -4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.430 1.451 -6.388 1.00 0.00 H new ATOM 1236 N ASP A 84 -6.976 1.976 -2.621 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.400 1.909 -1.165 1.00 0.00 C ATOM 1238 C ASP A 84 -6.301 2.350 -0.179 1.00 0.00 C ATOM 1239 O ASP A 84 -5.161 2.547 -0.552 1.00 0.00 O ATOM 1240 CB ASP A 84 -7.860 0.434 -0.941 1.00 0.00 C ATOM 1241 CG ASP A 84 -8.173 0.088 0.536 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -8.773 0.923 1.197 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -7.791 -1.004 0.911 1.00 0.00 O ATOM 0 H ASP A 84 -6.070 1.558 -2.833 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.204 2.617 -0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.749 0.246 -1.543 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.082 -0.237 -1.303 1.00 0.00 H new ATOM 1248 N GLN A 85 -6.693 2.512 1.055 1.00 0.00 N ATOM 1249 CA GLN A 85 -5.755 2.914 2.117 1.00 0.00 C ATOM 1250 C GLN A 85 -5.852 1.967 3.336 1.00 0.00 C ATOM 1251 O GLN A 85 -6.910 1.788 3.913 1.00 0.00 O ATOM 1252 CB GLN A 85 -6.066 4.310 2.562 1.00 0.00 C ATOM 1253 CG GLN A 85 -4.862 4.701 3.483 1.00 0.00 C ATOM 1254 CD GLN A 85 -4.999 6.111 3.966 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -4.630 7.076 3.207 1.00 0.00 O flip ATOM 1256 NE2 GLN A 85 -5.450 6.397 5.047 1.00 0.00 N flip ATOM 0 H GLN A 85 -7.654 2.376 1.370 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.745 2.862 1.711 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.153 4.988 1.713 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.011 4.354 3.103 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.815 4.023 4.335 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.927 4.589 2.934 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.756 5.661 5.683 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.526 7.375 5.325 1.00 0.00 H new ATOM 1265 N CYS A 86 -4.742 1.389 3.708 1.00 0.00 N ATOM 1266 CA CYS A 86 -4.751 0.461 4.883 1.00 0.00 C ATOM 1267 C CYS A 86 -4.031 1.078 6.109 1.00 0.00 C ATOM 1268 O CYS A 86 -3.176 1.939 6.014 1.00 0.00 O ATOM 1269 CB CYS A 86 -4.096 -0.868 4.414 1.00 0.00 C ATOM 1270 SG CYS A 86 -2.368 -1.279 4.759 1.00 0.00 S ATOM 0 H CYS A 86 -3.836 1.515 3.257 1.00 0.00 H new ATOM 0 HA CYS A 86 -5.771 0.275 5.221 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.697 -1.676 4.832 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.215 -0.909 3.331 1.00 0.00 H new ATOM 1275 N ALA A 87 -4.425 0.586 7.256 1.00 0.00 N ATOM 1276 CA ALA A 87 -3.864 1.054 8.571 1.00 0.00 C ATOM 1277 C ALA A 87 -2.931 0.062 9.325 1.00 0.00 C ATOM 1278 O ALA A 87 -2.812 0.148 10.532 1.00 0.00 O ATOM 1279 CB ALA A 87 -5.096 1.420 9.440 1.00 0.00 C ATOM 0 H ALA A 87 -5.133 -0.143 7.343 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.196 1.892 8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.761 1.770 10.416 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.667 2.207 8.948 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.726 0.540 9.567 1.00 0.00 H new ATOM 1285 N ASN A 88 -2.287 -0.847 8.638 1.00 0.00 N ATOM 1286 CA ASN A 88 -1.381 -1.813 9.372 1.00 0.00 C ATOM 1287 C ASN A 88 0.115 -1.813 8.951 1.00 0.00 C ATOM 1288 O ASN A 88 0.905 -2.588 9.452 1.00 0.00 O ATOM 1289 CB ASN A 88 -2.054 -3.227 9.220 1.00 0.00 C ATOM 1290 CG ASN A 88 -2.603 -3.449 7.822 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -1.884 -3.438 6.855 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -3.867 -3.653 7.626 1.00 0.00 N ATOM 0 H ASN A 88 -2.339 -0.970 7.627 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.304 -1.495 10.412 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -1.323 -4.003 9.450 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.861 -3.324 9.946 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.220 -3.797 6.680 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.510 -3.670 8.418 1.00 0.00 H new ATOM 1299 N GLY A 89 0.455 -0.937 8.043 1.00 0.00 N ATOM 1300 CA GLY A 89 1.883 -0.826 7.552 1.00 0.00 C ATOM 1301 C GLY A 89 2.217 -1.716 6.356 1.00 0.00 C ATOM 1302 O GLY A 89 3.164 -2.466 6.431 1.00 0.00 O ATOM 0 H GLY A 89 -0.195 -0.281 7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.081 0.211 7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.556 -1.076 8.373 1.00 0.00 H new ATOM 1306 N GLY A 90 1.485 -1.635 5.278 1.00 0.00 N ATOM 1307 CA GLY A 90 1.809 -2.521 4.100 1.00 0.00 C ATOM 1308 C GLY A 90 2.665 -1.939 2.957 1.00 0.00 C ATOM 1309 O GLY A 90 3.815 -2.300 2.839 1.00 0.00 O ATOM 0 H GLY A 90 0.689 -1.009 5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.321 -3.405 4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 90 0.866 -2.859 3.670 1.00 0.00 H new ATOM 1313 N LEU A 91 2.034 -1.078 2.205 1.00 0.00 N ATOM 1314 CA LEU A 91 2.593 -0.318 0.994 1.00 0.00 C ATOM 1315 C LEU A 91 1.557 -0.130 -0.077 1.00 0.00 C ATOM 1316 O LEU A 91 1.105 0.949 -0.383 1.00 0.00 O ATOM 1317 CB LEU A 91 3.867 -1.012 0.255 1.00 0.00 C ATOM 1318 CG LEU A 91 4.779 0.065 -0.522 1.00 0.00 C ATOM 1319 CD1 LEU A 91 4.058 1.018 -1.548 1.00 0.00 C ATOM 1320 CD2 LEU A 91 5.545 0.946 0.482 1.00 0.00 C ATOM 0 H LEU A 91 1.060 -0.837 2.385 1.00 0.00 H new ATOM 0 HA LEU A 91 2.914 0.623 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.474 -1.534 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.511 -1.762 -0.452 1.00 0.00 H new ATOM 0 HG LEU A 91 5.433 -0.567 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.790 1.690 -1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.586 0.422 -2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.298 1.603 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.156 1.668 -0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.835 1.476 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.187 0.319 1.100 1.00 0.00 H new ATOM 1332 N ASP A 92 1.256 -1.264 -0.560 1.00 0.00 N ATOM 1333 CA ASP A 92 0.252 -1.455 -1.673 1.00 0.00 C ATOM 1334 C ASP A 92 -0.524 -2.828 -1.827 1.00 0.00 C ATOM 1335 O ASP A 92 -0.138 -3.849 -1.308 1.00 0.00 O ATOM 1336 CB ASP A 92 1.117 -1.034 -2.885 1.00 0.00 C ATOM 1337 CG ASP A 92 2.306 -1.986 -3.146 1.00 0.00 C ATOM 1338 OD1 ASP A 92 2.254 -3.162 -2.812 1.00 0.00 O ATOM 1339 OD2 ASP A 92 3.245 -1.444 -3.707 1.00 0.00 O ATOM 0 H ASP A 92 1.671 -2.136 -0.232 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.655 -0.877 -1.495 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.489 -0.995 -3.775 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.497 -0.026 -2.719 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.626 -2.888 -2.544 1.00 0.00 N ATOM 1345 CA LEU A 93 -2.366 -4.216 -2.697 1.00 0.00 C ATOM 1346 C LEU A 93 -2.148 -4.402 -4.179 1.00 0.00 C ATOM 1347 O LEU A 93 -2.979 -4.109 -5.003 1.00 0.00 O ATOM 1348 CB LEU A 93 -3.868 -4.037 -2.241 1.00 0.00 C ATOM 1349 CG LEU A 93 -4.934 -4.545 -3.243 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -6.127 -5.152 -2.487 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -5.449 -3.324 -4.021 1.00 0.00 C ATOM 0 H LEU A 93 -2.050 -2.096 -3.028 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.045 -5.073 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.007 -4.559 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.048 -2.979 -2.051 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.496 -5.298 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.869 -5.505 -3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.784 -5.988 -1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.575 -4.394 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.204 -3.642 -4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.888 -2.608 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.620 -2.854 -4.550 1.00 0.00 H new ATOM 1363 N ASP A 94 -0.924 -4.810 -4.342 1.00 0.00 N ATOM 1364 CA ASP A 94 -0.246 -5.118 -5.605 1.00 0.00 C ATOM 1365 C ASP A 94 -0.292 -6.489 -6.161 1.00 0.00 C ATOM 1366 O ASP A 94 -1.079 -6.886 -6.988 1.00 0.00 O ATOM 1367 CB ASP A 94 1.211 -4.613 -5.418 1.00 0.00 C ATOM 1368 CG ASP A 94 1.143 -3.145 -5.660 1.00 0.00 C ATOM 1369 OD1 ASP A 94 0.278 -2.539 -5.087 1.00 0.00 O ATOM 1370 OD2 ASP A 94 1.960 -2.712 -6.423 1.00 0.00 O ATOM 0 H ASP A 94 -0.309 -4.953 -3.541 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.818 -4.615 -6.385 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.579 -4.831 -4.415 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.890 -5.098 -6.119 1.00 0.00 H new ATOM 1375 N TRP A 95 0.688 -7.131 -5.587 1.00 0.00 N ATOM 1376 CA TRP A 95 1.101 -8.527 -5.788 1.00 0.00 C ATOM 1377 C TRP A 95 1.751 -8.697 -7.169 1.00 0.00 C ATOM 1378 O TRP A 95 2.737 -9.387 -7.272 1.00 0.00 O ATOM 1379 CB TRP A 95 -0.081 -9.489 -5.689 1.00 0.00 C ATOM 1380 CG TRP A 95 0.659 -10.813 -5.913 1.00 0.00 C ATOM 1381 CD1 TRP A 95 1.529 -11.335 -5.011 1.00 0.00 C ATOM 1382 CD2 TRP A 95 0.648 -11.582 -7.026 1.00 0.00 C ATOM 1383 NE1 TRP A 95 1.992 -12.386 -5.641 1.00 0.00 N ATOM 1384 CE2 TRP A 95 1.531 -12.618 -6.852 1.00 0.00 C ATOM 1385 CE3 TRP A 95 -0.033 -11.477 -8.220 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 1.753 -13.542 -7.842 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 0.182 -12.400 -9.225 1.00 0.00 C ATOM 1388 CH2 TRP A 95 1.078 -13.433 -9.037 1.00 0.00 C ATOM 0 H TRP A 95 1.282 -6.664 -4.902 1.00 0.00 H new ATOM 0 HA TRP A 95 1.815 -8.764 -4.999 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.578 -9.445 -4.720 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.841 -9.299 -6.447 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.777 -10.975 -4.023 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.683 -13.001 -5.210 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.736 -10.671 -8.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.453 -14.350 -7.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.352 -12.313 -10.160 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.249 -14.153 -9.824 1.00 0.00 H new ATOM 1399 N ASP A 96 1.156 -8.085 -8.145 1.00 0.00 N ATOM 1400 CA ASP A 96 1.615 -8.117 -9.586 1.00 0.00 C ATOM 1401 C ASP A 96 1.923 -6.724 -10.206 1.00 0.00 C ATOM 1402 O ASP A 96 2.518 -6.590 -11.261 1.00 0.00 O ATOM 1403 CB ASP A 96 0.464 -8.846 -10.347 1.00 0.00 C ATOM 1404 CG ASP A 96 0.631 -8.963 -11.868 1.00 0.00 C ATOM 1405 OD1 ASP A 96 1.756 -9.062 -12.323 1.00 0.00 O ATOM 1406 OD2 ASP A 96 -0.426 -8.957 -12.477 1.00 0.00 O ATOM 0 H ASP A 96 0.315 -7.524 -8.007 1.00 0.00 H new ATOM 0 HA ASP A 96 2.574 -8.629 -9.662 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.361 -9.850 -9.935 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.469 -8.321 -10.143 1.00 0.00 H new ATOM 1411 N THR A 97 1.538 -5.673 -9.546 1.00 0.00 N ATOM 1412 CA THR A 97 1.780 -4.308 -10.130 1.00 0.00 C ATOM 1413 C THR A 97 3.088 -3.516 -9.844 1.00 0.00 C ATOM 1414 O THR A 97 3.837 -3.296 -10.779 1.00 0.00 O ATOM 1415 CB THR A 97 0.438 -3.508 -9.751 1.00 0.00 C ATOM 1416 OG1 THR A 97 0.530 -2.653 -8.619 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.799 -4.455 -9.413 1.00 0.00 C ATOM 0 H THR A 97 1.072 -5.687 -8.639 1.00 0.00 H new ATOM 0 HA THR A 97 1.984 -4.439 -11.193 1.00 0.00 H new ATOM 0 HB THR A 97 0.292 -2.929 -10.663 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.216 -2.836 -8.010 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.668 -3.845 -9.167 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.027 -5.079 -10.277 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.549 -5.090 -8.563 1.00 0.00 H new ATOM 1425 N VAL A 98 3.378 -3.077 -8.648 1.00 0.00 N ATOM 1426 CA VAL A 98 4.641 -2.315 -8.366 1.00 0.00 C ATOM 1427 C VAL A 98 5.816 -3.225 -7.966 1.00 0.00 C ATOM 1428 O VAL A 98 6.707 -3.449 -8.761 1.00 0.00 O ATOM 1429 CB VAL A 98 4.394 -1.265 -7.217 1.00 0.00 C ATOM 1430 CG1 VAL A 98 5.681 -0.450 -6.970 1.00 0.00 C ATOM 1431 CG2 VAL A 98 3.305 -0.239 -7.615 1.00 0.00 C ATOM 0 H VAL A 98 2.781 -3.216 -7.833 1.00 0.00 H new ATOM 0 HA VAL A 98 4.913 -1.814 -9.295 1.00 0.00 H new ATOM 0 HB VAL A 98 4.087 -1.826 -6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.506 0.275 -6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.487 -1.123 -6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.961 0.074 -7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.159 0.471 -6.801 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.619 0.296 -8.511 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.369 -0.761 -7.814 1.00 0.00 H new ATOM 1441 N PHE A 99 5.812 -3.761 -6.767 1.00 0.00 N ATOM 1442 CA PHE A 99 6.973 -4.647 -6.342 1.00 0.00 C ATOM 1443 C PHE A 99 7.359 -5.671 -7.426 1.00 0.00 C ATOM 1444 O PHE A 99 8.478 -5.677 -7.900 1.00 0.00 O ATOM 1445 CB PHE A 99 6.618 -5.387 -5.016 1.00 0.00 C ATOM 1446 CG PHE A 99 7.918 -5.434 -4.173 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.488 -4.241 -3.757 1.00 0.00 C ATOM 1448 CD2 PHE A 99 8.550 -6.615 -3.831 1.00 0.00 C ATOM 1449 CE1 PHE A 99 9.660 -4.221 -3.021 1.00 0.00 C ATOM 1450 CE2 PHE A 99 9.722 -6.597 -3.096 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.278 -5.403 -2.690 1.00 0.00 C ATOM 0 H PHE A 99 5.078 -3.635 -6.070 1.00 0.00 H new ATOM 0 HA PHE A 99 7.835 -3.998 -6.187 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.827 -4.863 -4.480 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.252 -6.393 -5.220 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.008 -3.308 -4.012 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.126 -7.559 -4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.087 -3.280 -2.708 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.206 -7.527 -2.838 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.193 -5.396 -2.116 1.00 0.00 H new ATOM 1461 N THR A 100 6.392 -6.484 -7.762 1.00 0.00 N ATOM 1462 CA THR A 100 6.493 -7.573 -8.810 1.00 0.00 C ATOM 1463 C THR A 100 7.020 -7.160 -10.145 1.00 0.00 C ATOM 1464 O THR A 100 7.222 -7.987 -11.011 1.00 0.00 O ATOM 1465 CB THR A 100 5.125 -8.182 -9.097 1.00 0.00 C ATOM 1466 OG1 THR A 100 4.205 -7.490 -8.269 1.00 0.00 O ATOM 1467 CG2 THR A 100 5.087 -9.635 -8.741 1.00 0.00 C ATOM 0 H THR A 100 5.471 -6.440 -7.327 1.00 0.00 H new ATOM 0 HA THR A 100 7.203 -8.265 -8.357 1.00 0.00 H new ATOM 0 HB THR A 100 4.891 -8.094 -10.158 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.065 -6.586 -8.620 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.097 -10.037 -8.958 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.834 -10.173 -9.326 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.302 -9.755 -7.679 1.00 0.00 H new ATOM 1475 N LYS A 101 7.186 -5.885 -10.282 1.00 0.00 N ATOM 1476 CA LYS A 101 7.700 -5.327 -11.537 1.00 0.00 C ATOM 1477 C LYS A 101 9.036 -4.618 -11.242 1.00 0.00 C ATOM 1478 O LYS A 101 10.010 -4.819 -11.937 1.00 0.00 O ATOM 1479 CB LYS A 101 6.652 -4.350 -12.060 1.00 0.00 C ATOM 1480 CG LYS A 101 5.463 -5.138 -12.601 1.00 0.00 C ATOM 1481 CD LYS A 101 5.785 -5.568 -14.033 1.00 0.00 C ATOM 1482 CE LYS A 101 4.736 -6.547 -14.491 1.00 0.00 C ATOM 1483 NZ LYS A 101 4.809 -6.623 -15.989 1.00 0.00 N ATOM 0 H LYS A 101 6.981 -5.196 -9.559 1.00 0.00 H new ATOM 0 HA LYS A 101 7.882 -6.095 -12.288 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.329 -3.682 -11.262 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.078 -3.726 -12.845 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.270 -6.010 -11.977 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.561 -4.526 -12.582 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.806 -4.700 -14.692 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.773 -6.025 -14.077 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.909 -7.528 -14.049 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.745 -6.224 -14.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.094 -7.293 -16.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.628 -5.682 -16.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.755 -6.946 -16.274 1.00 0.00 H new ATOM 1497 N ILE A 102 9.046 -3.803 -10.219 1.00 0.00 N ATOM 1498 CA ILE A 102 10.301 -3.070 -9.854 1.00 0.00 C ATOM 1499 C ILE A 102 11.155 -3.870 -8.863 1.00 0.00 C ATOM 1500 O ILE A 102 11.943 -3.307 -8.118 1.00 0.00 O ATOM 1501 CB ILE A 102 9.975 -1.676 -9.208 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.377 -1.815 -7.768 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.993 -0.913 -10.113 1.00 0.00 C ATOM 1504 CD1 ILE A 102 9.443 -0.435 -7.078 1.00 0.00 C ATOM 0 H ILE A 102 8.243 -3.612 -9.620 1.00 0.00 H new ATOM 0 HA ILE A 102 10.857 -2.930 -10.781 1.00 0.00 H new ATOM 0 HB ILE A 102 10.910 -1.124 -9.116 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.346 -2.165 -7.818 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.937 -2.553 -7.194 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.765 0.055 -9.667 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.444 -0.764 -11.094 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.074 -1.489 -10.220 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.030 -0.511 -6.072 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.481 -0.106 -7.021 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.865 0.288 -7.654 1.00 0.00 H new ATOM 1516 N ASP A 103 11.005 -5.170 -8.872 1.00 0.00 N ATOM 1517 CA ASP A 103 11.815 -5.981 -7.936 1.00 0.00 C ATOM 1518 C ASP A 103 13.171 -6.069 -8.641 1.00 0.00 C ATOM 1519 O ASP A 103 13.354 -6.039 -9.845 1.00 0.00 O ATOM 1520 CB ASP A 103 11.079 -7.350 -7.748 1.00 0.00 C ATOM 1521 CG ASP A 103 10.798 -8.026 -9.083 1.00 0.00 C ATOM 1522 OD1 ASP A 103 9.892 -7.554 -9.749 1.00 0.00 O ATOM 1523 OD2 ASP A 103 11.522 -8.970 -9.335 1.00 0.00 O ATOM 0 H ASP A 103 10.369 -5.690 -9.476 1.00 0.00 H new ATOM 0 HA ASP A 103 11.951 -5.584 -6.930 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.687 -8.008 -7.128 1.00 0.00 H new ATOM 0 HB3 ASP A 103 10.141 -7.189 -7.217 1.00 0.00 H new ATOM 1528 N THR A 104 14.155 -6.171 -7.815 1.00 0.00 N ATOM 1529 CA THR A 104 15.571 -6.249 -8.306 1.00 0.00 C ATOM 1530 C THR A 104 16.050 -7.677 -8.575 1.00 0.00 C ATOM 1531 O THR A 104 15.277 -8.534 -8.918 1.00 0.00 O ATOM 1532 CB THR A 104 16.420 -5.560 -7.244 1.00 0.00 C ATOM 1533 OG1 THR A 104 16.223 -6.410 -6.120 1.00 0.00 O ATOM 1534 CG2 THR A 104 15.778 -4.231 -6.785 1.00 0.00 C ATOM 0 H THR A 104 14.053 -6.205 -6.801 1.00 0.00 H new ATOM 0 HA THR A 104 15.655 -5.758 -9.276 1.00 0.00 H new ATOM 0 HB THR A 104 17.435 -5.387 -7.601 1.00 0.00 H new ATOM 0 HG1 THR A 104 15.556 -6.012 -5.522 1.00 0.00 H new ATOM 0 HG21 THR A 104 16.408 -3.765 -6.028 1.00 0.00 H new ATOM 0 HG22 THR A 104 15.680 -3.560 -7.639 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.792 -4.429 -6.365 1.00 0.00 H new ATOM 1542 N ASN A 105 17.307 -7.959 -8.397 1.00 0.00 N ATOM 1543 CA ASN A 105 17.824 -9.352 -8.657 1.00 0.00 C ATOM 1544 C ASN A 105 17.516 -10.300 -7.463 1.00 0.00 C ATOM 1545 O ASN A 105 18.267 -11.206 -7.152 1.00 0.00 O ATOM 1546 CB ASN A 105 19.351 -9.204 -8.892 1.00 0.00 C ATOM 1547 CG ASN A 105 19.934 -8.422 -7.716 1.00 0.00 C ATOM 1548 OD1 ASN A 105 19.894 -8.851 -6.589 1.00 0.00 O ATOM 1549 ND2 ASN A 105 20.482 -7.262 -7.877 1.00 0.00 N ATOM 0 H ASN A 105 18.010 -7.291 -8.082 1.00 0.00 H new ATOM 0 HA ASN A 105 17.338 -9.801 -9.523 1.00 0.00 H new ATOM 0 HB2 ASN A 105 19.822 -10.184 -8.969 1.00 0.00 H new ATOM 0 HB3 ASN A 105 19.544 -8.683 -9.830 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.854 -6.757 -7.072 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.543 -6.852 -8.809 1.00 0.00 H new ATOM 1556 N GLY A 106 16.387 -10.043 -6.861 1.00 0.00 N ATOM 1557 CA GLY A 106 15.925 -10.841 -5.687 1.00 0.00 C ATOM 1558 C GLY A 106 16.136 -10.075 -4.385 1.00 0.00 C ATOM 1559 O GLY A 106 15.515 -10.416 -3.402 1.00 0.00 O ATOM 0 H GLY A 106 15.750 -9.296 -7.140 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.869 -11.085 -5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.468 -11.785 -5.649 1.00 0.00 H new ATOM 1563 N ILE A 107 16.999 -9.073 -4.388 1.00 0.00 N ATOM 1564 CA ILE A 107 17.272 -8.255 -3.137 1.00 0.00 C ATOM 1565 C ILE A 107 15.996 -8.150 -2.280 1.00 0.00 C ATOM 1566 O ILE A 107 15.891 -8.636 -1.168 1.00 0.00 O ATOM 1567 CB ILE A 107 17.747 -6.824 -3.543 1.00 0.00 C ATOM 1568 CG1 ILE A 107 19.021 -6.831 -4.422 1.00 0.00 C ATOM 1569 CG2 ILE A 107 17.992 -5.947 -2.297 1.00 0.00 C ATOM 1570 CD1 ILE A 107 20.184 -7.613 -3.760 1.00 0.00 C ATOM 0 H ILE A 107 17.532 -8.782 -5.208 1.00 0.00 H new ATOM 0 HA ILE A 107 18.050 -8.748 -2.554 1.00 0.00 H new ATOM 0 HB ILE A 107 16.938 -6.403 -4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 107 18.790 -7.276 -5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 107 19.336 -5.805 -4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 107 18.322 -4.956 -2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 107 17.067 -5.859 -1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 107 18.760 -6.406 -1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 107 21.056 -7.590 -4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 107 20.435 -7.152 -2.804 1.00 0.00 H new ATOM 0 HD13 ILE A 107 19.880 -8.647 -3.596 1.00 0.00 H new ATOM 1582 N GLY A 108 15.051 -7.481 -2.900 1.00 0.00 N ATOM 1583 CA GLY A 108 13.708 -7.257 -2.266 1.00 0.00 C ATOM 1584 C GLY A 108 13.196 -8.550 -1.616 1.00 0.00 C ATOM 1585 O GLY A 108 12.861 -8.568 -0.453 1.00 0.00 O ATOM 0 H GLY A 108 15.154 -7.075 -3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 108 13.781 -6.470 -1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.997 -6.915 -3.018 1.00 0.00 H new ATOM 1589 N TYR A 109 13.173 -9.615 -2.372 1.00 0.00 N ATOM 1590 CA TYR A 109 12.670 -10.926 -1.811 1.00 0.00 C ATOM 1591 C TYR A 109 13.574 -11.469 -0.689 1.00 0.00 C ATOM 1592 O TYR A 109 13.117 -12.021 0.291 1.00 0.00 O ATOM 1593 CB TYR A 109 12.574 -11.916 -2.985 1.00 0.00 C ATOM 1594 CG TYR A 109 12.036 -13.281 -2.507 1.00 0.00 C ATOM 1595 CD1 TYR A 109 10.678 -13.484 -2.332 1.00 0.00 C ATOM 1596 CD2 TYR A 109 12.901 -14.327 -2.247 1.00 0.00 C ATOM 1597 CE1 TYR A 109 10.197 -14.712 -1.907 1.00 0.00 C ATOM 1598 CE2 TYR A 109 12.412 -15.550 -1.824 1.00 0.00 C ATOM 1599 CZ TYR A 109 11.065 -15.750 -1.652 1.00 0.00 C ATOM 1600 OH TYR A 109 10.601 -16.982 -1.237 1.00 0.00 O ATOM 0 H TYR A 109 13.475 -9.646 -3.346 1.00 0.00 H new ATOM 0 HA TYR A 109 11.694 -10.779 -1.349 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.918 -11.511 -3.756 1.00 0.00 H new ATOM 0 HB3 TYR A 109 13.557 -12.046 -3.439 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.987 -12.678 -2.529 1.00 0.00 H new ATOM 0 HD2 TYR A 109 13.964 -14.189 -2.375 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.135 -14.856 -1.775 1.00 0.00 H new ATOM 0 HE2 TYR A 109 13.100 -16.359 -1.626 1.00 0.00 H new ATOM 0 HH TYR A 109 11.358 -17.590 -1.108 1.00 0.00 H new ATOM 1610 N GLN A 110 14.847 -11.294 -0.888 1.00 0.00 N ATOM 1611 CA GLN A 110 15.898 -11.742 0.080 1.00 0.00 C ATOM 1612 C GLN A 110 15.810 -10.958 1.396 1.00 0.00 C ATOM 1613 O GLN A 110 16.163 -11.467 2.439 1.00 0.00 O ATOM 1614 CB GLN A 110 17.290 -11.520 -0.562 1.00 0.00 C ATOM 1615 CG GLN A 110 17.701 -12.698 -1.488 1.00 0.00 C ATOM 1616 CD GLN A 110 18.133 -13.908 -0.655 1.00 0.00 C ATOM 1617 OE1 GLN A 110 17.369 -14.502 0.068 1.00 0.00 O ATOM 1618 NE2 GLN A 110 19.350 -14.342 -0.696 1.00 0.00 N ATOM 0 H GLN A 110 15.224 -10.838 -1.719 1.00 0.00 H new ATOM 0 HA GLN A 110 15.744 -12.797 0.305 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.280 -10.594 -1.137 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.036 -11.400 0.224 1.00 0.00 H new ATOM 0 HG2 GLN A 110 16.865 -12.972 -2.131 1.00 0.00 H new ATOM 0 HG3 GLN A 110 18.517 -12.388 -2.141 1.00 0.00 H new ATOM 0 HE21 GLN A 110 20.037 -13.878 -1.290 1.00 0.00 H new ATOM 0 HE22 GLN A 110 19.623 -15.149 -0.134 1.00 0.00 H new ATOM 1627 N GLN A 111 15.344 -9.739 1.310 1.00 0.00 N ATOM 1628 CA GLN A 111 15.241 -8.920 2.559 1.00 0.00 C ATOM 1629 C GLN A 111 13.807 -8.707 3.110 1.00 0.00 C ATOM 1630 O GLN A 111 13.599 -8.680 4.308 1.00 0.00 O ATOM 1631 CB GLN A 111 15.937 -7.559 2.252 1.00 0.00 C ATOM 1632 CG GLN A 111 17.441 -7.776 1.787 1.00 0.00 C ATOM 1633 CD GLN A 111 18.203 -6.452 1.599 1.00 0.00 C ATOM 1634 OE1 GLN A 111 17.616 -5.331 1.849 1.00 0.00 O flip ATOM 1635 NE2 GLN A 111 19.354 -6.401 1.222 1.00 0.00 N flip ATOM 0 H GLN A 111 15.036 -9.282 0.452 1.00 0.00 H new ATOM 0 HA GLN A 111 15.728 -9.471 3.363 1.00 0.00 H new ATOM 0 HB2 GLN A 111 15.385 -7.033 1.473 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.915 -6.928 3.140 1.00 0.00 H new ATOM 0 HG2 GLN A 111 17.960 -8.387 2.525 1.00 0.00 H new ATOM 0 HG3 GLN A 111 17.450 -8.332 0.849 1.00 0.00 H new ATOM 0 HE21 GLN A 111 19.860 -7.261 1.012 1.00 0.00 H new ATOM 0 HE22 GLN A 111 19.816 -5.498 1.115 1.00 0.00 H new ATOM 1644 N GLY A 112 12.845 -8.550 2.242 1.00 0.00 N ATOM 1645 CA GLY A 112 11.412 -8.327 2.663 1.00 0.00 C ATOM 1646 C GLY A 112 11.152 -6.809 2.682 1.00 0.00 C ATOM 1647 O GLY A 112 10.131 -6.337 3.150 1.00 0.00 O ATOM 0 H GLY A 112 12.986 -8.566 1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 112 10.730 -8.822 1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 112 11.233 -8.757 3.649 1.00 0.00 H new ATOM 1651 N HIS A 113 12.119 -6.095 2.152 1.00 0.00 N ATOM 1652 CA HIS A 113 12.062 -4.599 2.082 1.00 0.00 C ATOM 1653 C HIS A 113 13.077 -4.013 1.050 1.00 0.00 C ATOM 1654 O HIS A 113 13.960 -4.708 0.585 1.00 0.00 O ATOM 1655 CB HIS A 113 12.341 -4.106 3.520 1.00 0.00 C ATOM 1656 CG HIS A 113 13.799 -4.367 3.878 1.00 0.00 C ATOM 1657 ND1 HIS A 113 14.769 -3.697 3.371 1.00 0.00 N ATOM 1658 CD2 HIS A 113 14.413 -5.265 4.730 1.00 0.00 C ATOM 1659 CE1 HIS A 113 15.897 -4.116 3.851 1.00 0.00 C ATOM 1660 NE2 HIS A 113 15.719 -5.094 4.702 1.00 0.00 N ATOM 0 H HIS A 113 12.967 -6.499 1.755 1.00 0.00 H new ATOM 0 HA HIS A 113 11.089 -4.258 1.728 1.00 0.00 H new ATOM 0 HB2 HIS A 113 12.122 -3.041 3.599 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.686 -4.619 4.224 1.00 0.00 H new ATOM 0 HD2 HIS A 113 13.898 -6.000 5.331 1.00 0.00 H new ATOM 0 HE1 HIS A 113 16.861 -3.710 3.583 1.00 0.00 H new ATOM 0 HE2 HIS A 113 16.429 -5.607 5.224 1.00 0.00 H new ATOM 1668 N LEU A 114 12.932 -2.752 0.726 1.00 0.00 N ATOM 1669 CA LEU A 114 13.829 -2.050 -0.250 1.00 0.00 C ATOM 1670 C LEU A 114 13.817 -0.510 -0.027 1.00 0.00 C ATOM 1671 O LEU A 114 13.055 0.004 0.767 1.00 0.00 O ATOM 1672 CB LEU A 114 13.315 -2.486 -1.650 1.00 0.00 C ATOM 1673 CG LEU A 114 14.045 -1.823 -2.830 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.546 -2.155 -2.752 1.00 0.00 C ATOM 1675 CD2 LEU A 114 13.500 -2.426 -4.128 1.00 0.00 C ATOM 0 H LEU A 114 12.200 -2.156 1.113 1.00 0.00 H new ATOM 0 HA LEU A 114 14.878 -2.320 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 114 13.414 -3.568 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 114 12.252 -2.256 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 114 13.895 -0.744 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 114 16.066 -1.686 -3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.954 -1.779 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.683 -3.235 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 114 14.004 -1.970 -4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.679 -3.501 -4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 114 12.429 -2.236 -4.196 1.00 0.00 H new ATOM 1687 N ASN A 115 14.652 0.203 -0.733 1.00 0.00 N ATOM 1688 CA ASN A 115 14.712 1.689 -0.584 1.00 0.00 C ATOM 1689 C ASN A 115 14.194 2.295 -1.902 1.00 0.00 C ATOM 1690 O ASN A 115 14.765 2.118 -2.962 1.00 0.00 O ATOM 1691 CB ASN A 115 16.163 2.039 -0.303 1.00 0.00 C ATOM 1692 CG ASN A 115 16.339 3.411 0.333 1.00 0.00 C ATOM 1693 OD1 ASN A 115 15.371 4.176 0.718 1.00 0.00 O flip ATOM 1694 ND2 ASN A 115 17.457 3.828 0.505 1.00 0.00 N flip ATOM 0 H ASN A 115 15.304 -0.184 -1.415 1.00 0.00 H new ATOM 0 HA ASN A 115 14.101 2.080 0.229 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.591 1.283 0.356 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.725 2.004 -1.236 1.00 0.00 H new ATOM 0 HD21 ASN A 115 18.260 3.267 0.221 1.00 0.00 H new ATOM 0 HD22 ASN A 115 17.600 4.742 0.935 1.00 0.00 H new ATOM 1701 N VAL A 116 13.101 2.985 -1.772 1.00 0.00 N ATOM 1702 CA VAL A 116 12.484 3.623 -2.974 1.00 0.00 C ATOM 1703 C VAL A 116 12.103 5.084 -2.719 1.00 0.00 C ATOM 1704 O VAL A 116 12.235 5.616 -1.626 1.00 0.00 O ATOM 1705 CB VAL A 116 11.208 2.808 -3.380 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.475 1.279 -3.384 1.00 0.00 C ATOM 1707 CG2 VAL A 116 10.023 3.133 -2.432 1.00 0.00 C ATOM 0 H VAL A 116 12.606 3.138 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 116 13.219 3.615 -3.779 1.00 0.00 H new ATOM 0 HB VAL A 116 10.948 3.107 -4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.565 0.752 -3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.267 1.050 -4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.780 0.960 -2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.148 2.556 -2.732 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.294 2.874 -1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.793 4.197 -2.488 1.00 0.00 H new ATOM 1717 N ASN A 117 11.644 5.658 -3.797 1.00 0.00 N ATOM 1718 CA ASN A 117 11.183 7.074 -3.825 1.00 0.00 C ATOM 1719 C ASN A 117 9.782 7.061 -4.458 1.00 0.00 C ATOM 1720 O ASN A 117 9.611 6.475 -5.514 1.00 0.00 O ATOM 1721 CB ASN A 117 12.216 7.854 -4.651 1.00 0.00 C ATOM 1722 CG ASN A 117 13.411 8.086 -3.751 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.460 9.011 -2.984 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.423 7.300 -3.760 1.00 0.00 N ATOM 0 H ASN A 117 11.567 5.182 -4.696 1.00 0.00 H new ATOM 0 HA ASN A 117 11.108 7.548 -2.846 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.504 7.292 -5.539 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.801 8.802 -4.994 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.212 7.477 -3.138 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.440 6.497 -4.389 1.00 0.00 H new ATOM 1731 N TYR A 118 8.827 7.681 -3.814 1.00 0.00 N ATOM 1732 CA TYR A 118 7.450 7.703 -4.386 1.00 0.00 C ATOM 1733 C TYR A 118 6.884 9.122 -4.294 1.00 0.00 C ATOM 1734 O TYR A 118 7.039 9.802 -3.291 1.00 0.00 O ATOM 1735 CB TYR A 118 6.523 6.688 -3.612 1.00 0.00 C ATOM 1736 CG TYR A 118 6.282 7.055 -2.139 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.482 8.128 -1.785 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.890 6.316 -1.142 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.305 8.455 -0.454 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.706 6.651 0.181 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.922 7.716 0.526 1.00 0.00 C ATOM 1742 OH TYR A 118 5.780 8.049 1.850 1.00 0.00 O ATOM 0 H TYR A 118 8.940 8.168 -2.925 1.00 0.00 H new ATOM 0 HA TYR A 118 7.488 7.402 -5.433 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.562 6.629 -4.122 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.971 5.695 -3.659 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.994 8.712 -2.552 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.512 5.472 -1.402 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.680 9.293 -0.184 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.185 6.067 0.953 1.00 0.00 H new ATOM 0 HH TYR A 118 4.831 8.027 2.093 1.00 0.00 H new ATOM 1752 N GLN A 119 6.246 9.539 -5.351 1.00 0.00 N ATOM 1753 CA GLN A 119 5.629 10.912 -5.403 1.00 0.00 C ATOM 1754 C GLN A 119 4.143 10.824 -5.839 1.00 0.00 C ATOM 1755 O GLN A 119 3.856 10.052 -6.737 1.00 0.00 O ATOM 1756 CB GLN A 119 6.358 11.807 -6.434 1.00 0.00 C ATOM 1757 CG GLN A 119 7.741 12.260 -5.945 1.00 0.00 C ATOM 1758 CD GLN A 119 8.715 11.113 -5.889 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.134 10.762 -4.716 1.00 0.00 O flip ATOM 1760 NE2 GLN A 119 9.086 10.542 -6.895 1.00 0.00 N flip ATOM 0 H GLN A 119 6.119 8.985 -6.198 1.00 0.00 H new ATOM 0 HA GLN A 119 5.714 11.339 -4.404 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.468 11.261 -7.371 1.00 0.00 H new ATOM 0 HB3 GLN A 119 5.746 12.684 -6.646 1.00 0.00 H new ATOM 0 HG2 GLN A 119 8.127 13.033 -6.610 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.649 12.708 -4.955 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.740 10.839 -7.807 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.744 9.765 -6.827 1.00 0.00 H new ATOM 1769 N PHE A 120 3.218 11.550 -5.260 1.00 0.00 N ATOM 1770 CA PHE A 120 1.814 11.394 -5.779 1.00 0.00 C ATOM 1771 C PHE A 120 1.739 12.009 -7.200 1.00 0.00 C ATOM 1772 O PHE A 120 2.150 13.130 -7.428 1.00 0.00 O ATOM 1773 CB PHE A 120 0.820 12.127 -4.882 1.00 0.00 C ATOM 1774 CG PHE A 120 0.624 11.420 -3.538 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.646 10.790 -2.848 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.631 11.430 -2.990 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.421 10.183 -1.634 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -0.854 10.824 -1.780 1.00 0.00 C ATOM 1779 CZ PHE A 120 0.161 10.201 -1.094 1.00 0.00 C ATOM 0 H PHE A 120 3.355 12.209 -4.494 1.00 0.00 H new ATOM 0 HA PHE A 120 1.562 10.334 -5.796 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.172 13.144 -4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.140 12.205 -5.393 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.639 10.775 -3.271 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.444 11.915 -3.510 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.231 9.696 -1.111 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.848 10.837 -1.357 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.032 9.731 -0.141 1.00 0.00 H new ATOM 1789 N VAL A 121 1.199 11.234 -8.098 1.00 0.00 N ATOM 1790 CA VAL A 121 1.047 11.663 -9.529 1.00 0.00 C ATOM 1791 C VAL A 121 -0.409 11.493 -10.008 1.00 0.00 C ATOM 1792 O VAL A 121 -1.053 10.513 -9.687 1.00 0.00 O ATOM 1793 CB VAL A 121 2.052 10.791 -10.372 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.367 9.933 -11.452 1.00 0.00 C ATOM 1795 CG2 VAL A 121 3.071 11.655 -11.105 1.00 0.00 C ATOM 0 H VAL A 121 0.846 10.297 -7.901 1.00 0.00 H new ATOM 0 HA VAL A 121 1.275 12.722 -9.649 1.00 0.00 H new ATOM 0 HB VAL A 121 2.526 10.146 -9.632 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.120 9.359 -11.993 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.660 9.250 -10.980 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.835 10.581 -12.149 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.746 11.017 -11.675 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.553 12.332 -11.784 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.644 12.235 -10.381 1.00 0.00 H new ATOM 1805 N ASP A 122 -0.917 12.443 -10.739 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.316 12.271 -11.218 1.00 0.00 C ATOM 1807 C ASP A 122 -2.253 11.542 -12.588 1.00 0.00 C ATOM 1808 O ASP A 122 -1.524 11.958 -13.472 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.965 13.647 -11.344 1.00 0.00 C ATOM 1810 CG ASP A 122 -4.480 13.467 -11.418 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -4.913 12.755 -12.306 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -5.116 14.062 -10.567 1.00 0.00 O ATOM 0 H ASP A 122 -0.445 13.303 -11.019 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.915 11.680 -10.525 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.699 14.270 -10.490 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.601 14.157 -12.236 1.00 0.00 H new ATOM 1817 N CYS A 123 -2.993 10.483 -12.749 1.00 0.00 N ATOM 1818 CA CYS A 123 -2.968 9.754 -14.060 1.00 0.00 C ATOM 1819 C CYS A 123 -4.012 10.274 -15.050 1.00 0.00 C ATOM 1820 O CYS A 123 -3.948 9.931 -16.214 1.00 0.00 O ATOM 1821 CB CYS A 123 -3.215 8.247 -13.832 1.00 0.00 C ATOM 1822 SG CYS A 123 -1.824 7.203 -13.329 1.00 0.00 S ATOM 0 H CYS A 123 -3.611 10.088 -12.041 1.00 0.00 H new ATOM 0 HA CYS A 123 -1.981 9.927 -14.490 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -3.992 8.151 -13.073 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -3.620 7.835 -14.756 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.916 11.084 -14.546 1.00 0.00 N ATOM 1828 CA ARG A 124 -6.027 11.687 -15.354 1.00 0.00 C ATOM 1829 C ARG A 124 -6.452 10.766 -16.518 1.00 0.00 C ATOM 1830 O ARG A 124 -6.158 11.053 -17.665 1.00 0.00 O ATOM 1831 CB ARG A 124 -5.521 13.073 -15.847 1.00 0.00 C ATOM 1832 CG ARG A 124 -6.676 13.802 -16.620 1.00 0.00 C ATOM 1833 CD ARG A 124 -6.225 15.168 -17.156 1.00 0.00 C ATOM 1834 NE ARG A 124 -4.954 14.916 -17.910 1.00 0.00 N ATOM 1835 CZ ARG A 124 -4.934 14.885 -19.181 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -5.182 13.743 -19.683 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -4.678 15.954 -19.836 1.00 0.00 N ATOM 0 H ARG A 124 -4.928 11.363 -13.565 1.00 0.00 H new ATOM 0 HA ARG A 124 -6.925 11.809 -14.749 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -5.197 13.677 -15.000 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -4.656 12.947 -16.498 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -7.010 13.178 -17.449 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -7.531 13.935 -15.957 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -6.985 15.602 -17.806 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -6.062 15.873 -16.341 1.00 0.00 H new ATOM 0 HE ARG A 124 -4.088 14.766 -17.393 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -5.375 12.949 -19.073 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -5.188 13.621 -20.696 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -4.491 16.825 -19.338 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -4.660 15.935 -20.856 1.00 0.00 H new ATOM 1851 N ASP A 125 -7.115 9.712 -16.105 1.00 0.00 N ATOM 1852 CA ASP A 125 -7.664 8.633 -16.987 1.00 0.00 C ATOM 1853 C ASP A 125 -8.937 9.233 -17.658 1.00 0.00 C ATOM 1854 O ASP A 125 -10.019 9.118 -17.096 1.00 0.00 O ATOM 1855 CB ASP A 125 -7.921 7.426 -16.005 1.00 0.00 C ATOM 1856 CG ASP A 125 -8.368 6.092 -16.611 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -9.504 5.936 -17.009 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -7.514 5.224 -16.627 1.00 0.00 O ATOM 1859 OXT ASP A 125 -8.732 9.806 -18.719 1.00 0.00 O ATOM 0 H ASP A 125 -7.310 9.548 -15.117 1.00 0.00 H new ATOM 0 HA ASP A 125 -7.027 8.280 -17.798 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -7.002 7.248 -15.446 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -8.678 7.736 -15.284 1.00 0.00 H new