USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 975 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 118 GLN :FLIP amide:sc= 0.406 F(o=0.022,f=0.82) USER MOD Set 1.2: A 120 THR OG1 : rot 180:sc= 0.413 USER MOD Set 2.1: A 23 CYS SG : rot -40:sc= -1.92! USER MOD Set 2.2: A 97 CYS SG : rot -171:sc= -0.415 USER MOD Set 3.1: A 83 GLN : amide:sc= -0.0775 X(o=-0.13,f=-0.48) USER MOD Set 3.2: A 85 ASN : amide:sc= -0.0561 K(o=-0.13,f=-2.5!) USER MOD Set 4.1: A 77 LYS NZ :NH3+ -117:sc= 0.973 (180deg=-0.235) USER MOD Set 4.2: A 81 TYR OH : rot 180:sc= 1.03 USER MOD Set 5.1: A 14 GLN :FLIP amide:sc= -1.1 F(o=-3!,f=-0.15) USER MOD Set 5.2: A 126 HIS : no HE2:sc= 0.944 K(o=-0.15,f=-6.7) USER MOD Single : A 1 MET CE :methyl -169:sc= -0.0524 (180deg=-0.224) USER MOD Single : A 1 MET N :NH3+ -139:sc= 0.0849 (180deg=-0.0265) USER MOD Single : A 2 GLN : amide:sc= -0.488 X(o=-0.49,f=-0.029) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.121 USER MOD Single : A 26 SER OG : rot 180:sc= -0.316 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -114:sc= 0.365 USER MOD Single : A 33 ASN : amide:sc= 0.00733 X(o=0.0073,f=0) USER MOD Single : A 35 MET CE :methyl 154:sc= 0 (180deg=-0.484) USER MOD Single : A 40 GLN : amide:sc= -2.14 K(o=-2.1,f=-3.3!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -44:sc= 0.736 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -153:sc= 0.873 (180deg=0.404) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.341 X(o=0.34,f=0) USER MOD Single : A 78 ASN : amide:sc= 0.191 K(o=0.19,f=-4.8!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -140:sc= -0.649 (180deg=-3.05!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 174:sc= 0.528 (180deg=0.446) USER MOD Single : A 92 THR OG1 : rot 83:sc= 0.347 USER MOD Single : A 95 TYR OH : rot -9:sc= -0.119 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 150:sc= -0.733 USER MOD Single : A 115 GLN :FLIP amide:sc= -0.0355 F(o=-2.1,f=-0.036) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -150:sc= -0.58 USER MOD Single : A 123 SER OG : rot 47:sc= 0.203 USER MOD Single : A 127 HIS : no HD1:sc=-0.00787 K(o=-0.0079,f=-2.2) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 129 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.15) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 131 HIS : no HD1:sc=-0.00663 X(o=-0.0066,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.201 0.101 -1.449 1.00 0.00 N ATOM 2 CA MET A 1 0.577 0.572 -2.711 1.00 0.00 C ATOM 3 C MET A 1 0.631 2.119 -2.773 1.00 0.00 C ATOM 4 O MET A 1 1.522 2.716 -2.147 1.00 0.00 O ATOM 5 CB MET A 1 -0.873 0.018 -2.811 1.00 0.00 C ATOM 6 CG MET A 1 -0.970 -1.516 -2.853 1.00 0.00 C ATOM 7 SD MET A 1 -2.636 -2.105 -3.232 1.00 0.00 S ATOM 8 CE MET A 1 -3.617 -1.355 -1.930 1.00 0.00 C ATOM 0 H1 MET A 1 1.780 -0.742 -1.641 1.00 0.00 H new ATOM 0 H2 MET A 1 1.804 0.853 -1.058 1.00 0.00 H new ATOM 0 H3 MET A 1 0.457 -0.139 -0.763 1.00 0.00 H new ATOM 0 HA MET A 1 1.128 0.196 -3.573 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.447 0.382 -1.959 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.342 0.423 -3.708 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.276 -1.899 -3.601 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.657 -1.921 -1.891 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.616 -1.790 -1.931 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.143 -1.538 -0.966 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.689 -0.281 -2.101 1.00 0.00 H new ATOM 20 N GLN A 2 -0.304 2.748 -3.548 1.00 0.00 N ATOM 21 CA GLN A 2 -0.376 4.216 -3.757 1.00 0.00 C ATOM 22 C GLN A 2 0.880 4.720 -4.487 1.00 0.00 C ATOM 23 O GLN A 2 1.821 5.190 -3.846 1.00 0.00 O ATOM 24 CB GLN A 2 -0.611 5.006 -2.425 1.00 0.00 C ATOM 25 CG GLN A 2 -1.957 4.723 -1.730 1.00 0.00 C ATOM 26 CD GLN A 2 -3.196 5.152 -2.530 1.00 0.00 C ATOM 27 OE1 GLN A 2 -4.252 4.533 -2.422 1.00 0.00 O ATOM 28 NE2 GLN A 2 -3.096 6.236 -3.301 1.00 0.00 N ATOM 0 H GLN A 2 -1.033 2.238 -4.047 1.00 0.00 H new ATOM 0 HA GLN A 2 -1.246 4.407 -4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 2 0.196 4.768 -1.732 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -0.546 6.073 -2.637 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -2.026 3.655 -1.524 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.968 5.235 -0.768 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.207 6.731 -3.372 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -3.909 6.570 -3.819 1.00 0.00 H new ATOM 37 N LEU A 3 0.896 4.571 -5.824 1.00 0.00 N ATOM 38 CA LEU A 3 2.039 4.988 -6.663 1.00 0.00 C ATOM 39 C LEU A 3 2.201 6.512 -6.648 1.00 0.00 C ATOM 40 O LEU A 3 1.337 7.243 -7.155 1.00 0.00 O ATOM 41 CB LEU A 3 1.890 4.461 -8.135 1.00 0.00 C ATOM 42 CG LEU A 3 2.539 3.076 -8.435 1.00 0.00 C ATOM 43 CD1 LEU A 3 4.070 3.145 -8.262 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.910 1.954 -7.579 1.00 0.00 C ATOM 0 H LEU A 3 0.125 4.162 -6.352 1.00 0.00 H new ATOM 0 HA LEU A 3 2.939 4.543 -6.238 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.828 4.401 -8.372 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.326 5.198 -8.809 1.00 0.00 H new ATOM 0 HG LEU A 3 2.334 2.825 -9.476 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.505 2.169 -8.476 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.481 3.884 -8.950 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.308 3.432 -7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.388 1.004 -7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.054 2.179 -6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.843 1.887 -7.794 1.00 0.00 H new ATOM 56 N GLN A 4 3.307 6.974 -6.043 1.00 0.00 N ATOM 57 CA GLN A 4 3.684 8.378 -6.065 1.00 0.00 C ATOM 58 C GLN A 4 4.461 8.639 -7.359 1.00 0.00 C ATOM 59 O GLN A 4 5.631 8.261 -7.478 1.00 0.00 O ATOM 60 CB GLN A 4 4.551 8.711 -4.821 1.00 0.00 C ATOM 61 CG GLN A 4 3.889 8.368 -3.468 1.00 0.00 C ATOM 62 CD GLN A 4 4.822 8.589 -2.278 1.00 0.00 C ATOM 63 OE1 GLN A 4 4.832 9.656 -1.668 1.00 0.00 O ATOM 64 NE2 GLN A 4 5.639 7.593 -1.966 1.00 0.00 N ATOM 0 H GLN A 4 3.957 6.379 -5.529 1.00 0.00 H new ATOM 0 HA GLN A 4 2.800 9.015 -6.034 1.00 0.00 H new ATOM 0 HB2 GLN A 4 5.495 8.171 -4.897 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.790 9.774 -4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 4 2.995 8.979 -3.341 1.00 0.00 H new ATOM 0 HG3 GLN A 4 3.565 7.327 -3.481 1.00 0.00 H new ATOM 0 HE21 GLN A 4 5.604 6.721 -2.493 1.00 0.00 H new ATOM 0 HE22 GLN A 4 6.303 7.699 -1.199 1.00 0.00 H new ATOM 73 N LEU A 5 3.791 9.266 -8.332 1.00 0.00 N ATOM 74 CA LEU A 5 4.399 9.654 -9.605 1.00 0.00 C ATOM 75 C LEU A 5 4.733 11.141 -9.524 1.00 0.00 C ATOM 76 O LEU A 5 3.829 11.969 -9.387 1.00 0.00 O ATOM 77 CB LEU A 5 3.440 9.355 -10.791 1.00 0.00 C ATOM 78 CG LEU A 5 2.992 7.865 -10.966 1.00 0.00 C ATOM 79 CD1 LEU A 5 2.021 7.719 -12.157 1.00 0.00 C ATOM 80 CD2 LEU A 5 4.210 6.915 -11.102 1.00 0.00 C ATOM 0 H LEU A 5 2.806 9.519 -8.256 1.00 0.00 H new ATOM 0 HA LEU A 5 5.307 9.078 -9.784 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.547 9.968 -10.671 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.926 9.676 -11.712 1.00 0.00 H new ATOM 0 HG LEU A 5 2.457 7.570 -10.063 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.724 6.675 -12.258 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.137 8.333 -11.983 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.515 8.046 -13.072 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.860 5.890 -11.222 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.799 7.201 -11.973 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.828 6.985 -10.207 1.00 0.00 H new ATOM 92 N VAL A 6 6.035 11.462 -9.524 1.00 0.00 N ATOM 93 CA VAL A 6 6.527 12.846 -9.477 1.00 0.00 C ATOM 94 C VAL A 6 7.072 13.230 -10.860 1.00 0.00 C ATOM 95 O VAL A 6 8.181 12.829 -11.237 1.00 0.00 O ATOM 96 CB VAL A 6 7.648 13.016 -8.377 1.00 0.00 C ATOM 97 CG1 VAL A 6 8.162 14.484 -8.313 1.00 0.00 C ATOM 98 CG2 VAL A 6 7.142 12.530 -6.987 1.00 0.00 C ATOM 0 H VAL A 6 6.779 10.765 -9.557 1.00 0.00 H new ATOM 0 HA VAL A 6 5.702 13.506 -9.210 1.00 0.00 H new ATOM 0 HB VAL A 6 8.493 12.389 -8.662 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.932 14.567 -7.546 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.580 14.766 -9.279 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.334 15.149 -8.068 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.932 12.658 -6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.271 13.115 -6.692 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.868 11.477 -7.047 1.00 0.00 H new ATOM 108 N GLU A 7 6.278 14.002 -11.614 1.00 0.00 N ATOM 109 CA GLU A 7 6.649 14.463 -12.956 1.00 0.00 C ATOM 110 C GLU A 7 7.381 15.811 -12.846 1.00 0.00 C ATOM 111 O GLU A 7 6.889 16.745 -12.200 1.00 0.00 O ATOM 112 CB GLU A 7 5.413 14.580 -13.900 1.00 0.00 C ATOM 113 CG GLU A 7 4.531 13.301 -14.018 1.00 0.00 C ATOM 114 CD GLU A 7 3.319 13.268 -13.057 1.00 0.00 C ATOM 115 OE1 GLU A 7 3.508 13.346 -11.834 1.00 0.00 O ATOM 116 OE2 GLU A 7 2.171 13.171 -13.521 1.00 0.00 O ATOM 0 H GLU A 7 5.360 14.324 -11.309 1.00 0.00 H new ATOM 0 HA GLU A 7 7.312 13.721 -13.400 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.787 15.400 -13.549 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.764 14.851 -14.896 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.169 13.218 -15.043 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.153 12.427 -13.828 1.00 0.00 H new ATOM 123 N SER A 8 8.557 15.887 -13.475 1.00 0.00 N ATOM 124 CA SER A 8 9.439 17.058 -13.464 1.00 0.00 C ATOM 125 C SER A 8 9.806 17.430 -14.915 1.00 0.00 C ATOM 126 O SER A 8 9.616 16.624 -15.834 1.00 0.00 O ATOM 127 CB SER A 8 10.708 16.741 -12.634 1.00 0.00 C ATOM 128 OG SER A 8 10.368 16.348 -11.306 1.00 0.00 O ATOM 0 H SER A 8 8.933 15.113 -14.022 1.00 0.00 H new ATOM 0 HA SER A 8 8.932 17.907 -13.005 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.274 15.945 -13.118 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.354 17.618 -12.603 1.00 0.00 H new ATOM 0 HG SER A 8 11.186 16.152 -10.803 1.00 0.00 H new ATOM 134 N GLY A 9 10.361 18.638 -15.100 1.00 0.00 N ATOM 135 CA GLY A 9 10.630 19.201 -16.435 1.00 0.00 C ATOM 136 C GLY A 9 9.606 20.266 -16.817 1.00 0.00 C ATOM 137 O GLY A 9 9.583 20.733 -17.962 1.00 0.00 O ATOM 0 H GLY A 9 10.635 19.251 -14.332 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.630 19.635 -16.452 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.617 18.402 -17.176 1.00 0.00 H new ATOM 141 N GLY A 10 8.754 20.640 -15.848 1.00 0.00 N ATOM 142 CA GLY A 10 7.713 21.638 -16.060 1.00 0.00 C ATOM 143 C GLY A 10 8.255 23.060 -16.074 1.00 0.00 C ATOM 144 O GLY A 10 8.569 23.615 -15.017 1.00 0.00 O ATOM 0 H GLY A 10 8.774 20.256 -14.903 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.210 21.436 -17.006 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.963 21.547 -15.274 1.00 0.00 H new ATOM 148 N GLY A 11 8.378 23.641 -17.279 1.00 0.00 N ATOM 149 CA GLY A 11 8.864 25.011 -17.448 1.00 0.00 C ATOM 150 C GLY A 11 8.422 25.600 -18.769 1.00 0.00 C ATOM 151 O GLY A 11 7.707 24.947 -19.546 1.00 0.00 O ATOM 0 H GLY A 11 8.144 23.174 -18.155 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.496 25.632 -16.631 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.952 25.021 -17.391 1.00 0.00 H new ATOM 155 N LEU A 12 8.840 26.851 -19.022 1.00 0.00 N ATOM 156 CA LEU A 12 8.511 27.564 -20.253 1.00 0.00 C ATOM 157 C LEU A 12 9.609 27.323 -21.292 1.00 0.00 C ATOM 158 O LEU A 12 10.777 27.654 -21.065 1.00 0.00 O ATOM 159 CB LEU A 12 8.296 29.077 -19.970 1.00 0.00 C ATOM 160 CG LEU A 12 7.632 29.941 -21.110 1.00 0.00 C ATOM 161 CD1 LEU A 12 6.894 31.170 -20.524 1.00 0.00 C ATOM 162 CD2 LEU A 12 8.663 30.401 -22.183 1.00 0.00 C ATOM 0 H LEU A 12 9.415 27.391 -18.375 1.00 0.00 H new ATOM 0 HA LEU A 12 7.573 27.182 -20.657 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.679 29.168 -19.076 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.265 29.517 -19.735 1.00 0.00 H new ATOM 0 HG LEU A 12 6.907 29.294 -21.603 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.447 31.746 -21.334 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.112 30.834 -19.843 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.603 31.796 -19.982 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.156 30.992 -22.945 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.436 31.006 -21.709 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.120 29.527 -22.647 1.00 0.00 H new ATOM 174 N VAL A 13 9.216 26.728 -22.422 1.00 0.00 N ATOM 175 CA VAL A 13 10.070 26.570 -23.611 1.00 0.00 C ATOM 176 C VAL A 13 9.360 27.210 -24.815 1.00 0.00 C ATOM 177 O VAL A 13 8.162 27.487 -24.764 1.00 0.00 O ATOM 178 CB VAL A 13 10.409 25.050 -23.904 1.00 0.00 C ATOM 179 CG1 VAL A 13 11.273 24.429 -22.770 1.00 0.00 C ATOM 180 CG2 VAL A 13 9.122 24.219 -24.130 1.00 0.00 C ATOM 0 H VAL A 13 8.282 26.335 -22.542 1.00 0.00 H new ATOM 0 HA VAL A 13 11.021 27.070 -23.427 1.00 0.00 H new ATOM 0 HB VAL A 13 10.994 25.022 -24.823 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.486 23.386 -23.005 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.209 24.980 -22.683 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.730 24.485 -21.827 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.389 23.181 -24.329 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.496 24.268 -23.239 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.574 24.622 -24.982 1.00 0.00 H new ATOM 190 N GLN A 14 10.123 27.468 -25.877 1.00 0.00 N ATOM 191 CA GLN A 14 9.604 28.022 -27.146 1.00 0.00 C ATOM 192 C GLN A 14 9.035 26.896 -28.041 1.00 0.00 C ATOM 193 O GLN A 14 9.441 25.725 -27.929 1.00 0.00 O ATOM 194 CB GLN A 14 10.719 28.816 -27.920 1.00 0.00 C ATOM 195 CG GLN A 14 11.868 27.968 -28.548 1.00 0.00 C ATOM 196 CD GLN A 14 12.727 27.215 -27.526 1.00 0.00 C ATOM 197 OE1 GLN A 14 12.336 26.001 -27.184 1.00 0.00 O flip ATOM 198 NE2 GLN A 14 13.706 27.741 -27.013 1.00 0.00 N flip ATOM 0 H GLN A 14 11.129 27.300 -25.890 1.00 0.00 H new ATOM 0 HA GLN A 14 8.800 28.716 -26.899 1.00 0.00 H new ATOM 0 HB2 GLN A 14 10.241 29.386 -28.717 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.163 29.537 -27.234 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.435 27.248 -29.242 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.512 28.626 -29.132 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.987 28.680 -27.295 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.241 27.240 -26.303 1.00 0.00 H new ATOM 207 N ALA A 15 8.097 27.277 -28.925 1.00 0.00 N ATOM 208 CA ALA A 15 7.529 26.387 -29.944 1.00 0.00 C ATOM 209 C ALA A 15 8.582 26.114 -31.030 1.00 0.00 C ATOM 210 O ALA A 15 9.178 27.051 -31.567 1.00 0.00 O ATOM 211 CB ALA A 15 6.263 27.017 -30.543 1.00 0.00 C ATOM 0 H ALA A 15 7.710 28.221 -28.950 1.00 0.00 H new ATOM 0 HA ALA A 15 7.249 25.437 -29.489 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.847 26.350 -31.299 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.527 27.175 -29.754 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.515 27.973 -31.002 1.00 0.00 H new ATOM 217 N GLY A 16 8.823 24.827 -31.308 1.00 0.00 N ATOM 218 CA GLY A 16 9.862 24.382 -32.244 1.00 0.00 C ATOM 219 C GLY A 16 11.054 23.785 -31.511 1.00 0.00 C ATOM 220 O GLY A 16 11.897 23.119 -32.125 1.00 0.00 O ATOM 0 H GLY A 16 8.299 24.060 -30.887 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.445 23.642 -32.927 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.192 25.225 -32.851 1.00 0.00 H new ATOM 224 N GLY A 17 11.111 24.022 -30.184 1.00 0.00 N ATOM 225 CA GLY A 17 12.161 23.474 -29.330 1.00 0.00 C ATOM 226 C GLY A 17 11.817 22.105 -28.764 1.00 0.00 C ATOM 227 O GLY A 17 10.756 21.541 -29.066 1.00 0.00 O ATOM 0 H GLY A 17 10.431 24.596 -29.686 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.086 23.402 -29.903 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.349 24.164 -28.507 1.00 0.00 H new ATOM 231 N SER A 18 12.726 21.571 -27.935 1.00 0.00 N ATOM 232 CA SER A 18 12.592 20.237 -27.328 1.00 0.00 C ATOM 233 C SER A 18 12.563 20.338 -25.787 1.00 0.00 C ATOM 234 O SER A 18 13.411 21.008 -25.183 1.00 0.00 O ATOM 235 CB SER A 18 13.753 19.326 -27.809 1.00 0.00 C ATOM 236 OG SER A 18 15.019 19.919 -27.576 1.00 0.00 O ATOM 0 H SER A 18 13.582 22.056 -27.664 1.00 0.00 H new ATOM 0 HA SER A 18 11.648 19.794 -27.645 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.700 18.367 -27.293 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.638 19.122 -28.873 1.00 0.00 H new ATOM 0 HG SER A 18 15.725 19.316 -27.890 1.00 0.00 H new ATOM 242 N LEU A 19 11.578 19.672 -25.164 1.00 0.00 N ATOM 243 CA LEU A 19 11.441 19.591 -23.701 1.00 0.00 C ATOM 244 C LEU A 19 11.280 18.120 -23.296 1.00 0.00 C ATOM 245 O LEU A 19 10.473 17.399 -23.884 1.00 0.00 O ATOM 246 CB LEU A 19 10.225 20.427 -23.214 1.00 0.00 C ATOM 247 CG LEU A 19 9.948 20.425 -21.674 1.00 0.00 C ATOM 248 CD1 LEU A 19 11.153 20.979 -20.877 1.00 0.00 C ATOM 249 CD2 LEU A 19 8.646 21.191 -21.352 1.00 0.00 C ATOM 0 H LEU A 19 10.847 19.169 -25.667 1.00 0.00 H new ATOM 0 HA LEU A 19 12.335 20.003 -23.232 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.371 21.459 -23.533 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.333 20.059 -23.722 1.00 0.00 H new ATOM 0 HG LEU A 19 9.812 19.391 -21.359 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.923 20.962 -19.812 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.031 20.362 -21.069 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.355 22.004 -21.188 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.472 21.177 -20.276 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.737 22.223 -21.692 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.808 20.714 -21.861 1.00 0.00 H new ATOM 261 N ARG A 20 12.061 17.693 -22.297 1.00 0.00 N ATOM 262 CA ARG A 20 12.057 16.311 -21.787 1.00 0.00 C ATOM 263 C ARG A 20 11.501 16.278 -20.355 1.00 0.00 C ATOM 264 O ARG A 20 11.896 17.085 -19.506 1.00 0.00 O ATOM 265 CB ARG A 20 13.486 15.732 -21.841 1.00 0.00 C ATOM 266 CG ARG A 20 13.621 14.259 -21.379 1.00 0.00 C ATOM 267 CD ARG A 20 15.080 13.778 -21.405 1.00 0.00 C ATOM 268 NE ARG A 20 15.956 14.667 -20.607 1.00 0.00 N ATOM 269 CZ ARG A 20 16.640 14.315 -19.507 1.00 0.00 C ATOM 270 NH1 ARG A 20 16.690 13.047 -19.104 1.00 0.00 N ATOM 271 NH2 ARG A 20 17.301 15.242 -18.828 1.00 0.00 N ATOM 0 H ARG A 20 12.721 18.301 -21.813 1.00 0.00 H new ATOM 0 HA ARG A 20 11.412 15.695 -22.414 1.00 0.00 H new ATOM 0 HB2 ARG A 20 13.854 15.810 -22.864 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.135 16.351 -21.221 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.224 14.158 -20.369 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.017 13.620 -22.024 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.137 12.762 -21.014 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.435 13.744 -22.435 1.00 0.00 H new ATOM 0 HE ARG A 20 16.048 15.633 -20.922 1.00 0.00 H new ATOM 0 HH11 ARG A 20 16.203 12.324 -19.634 1.00 0.00 H new ATOM 0 HH12 ARG A 20 17.215 12.799 -18.265 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.287 16.212 -19.143 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.824 14.985 -17.991 1.00 0.00 H new ATOM 285 N LEU A 21 10.571 15.343 -20.104 1.00 0.00 N ATOM 286 CA LEU A 21 9.921 15.144 -18.799 1.00 0.00 C ATOM 287 C LEU A 21 10.493 13.893 -18.117 1.00 0.00 C ATOM 288 O LEU A 21 11.067 13.026 -18.787 1.00 0.00 O ATOM 289 CB LEU A 21 8.373 15.007 -18.959 1.00 0.00 C ATOM 290 CG LEU A 21 7.598 16.249 -19.525 1.00 0.00 C ATOM 291 CD1 LEU A 21 7.998 17.549 -18.806 1.00 0.00 C ATOM 292 CD2 LEU A 21 7.751 16.371 -21.053 1.00 0.00 C ATOM 0 H LEU A 21 10.243 14.691 -20.817 1.00 0.00 H new ATOM 0 HA LEU A 21 10.122 16.017 -18.179 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.175 14.158 -19.613 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.953 14.762 -17.983 1.00 0.00 H new ATOM 0 HG LEU A 21 6.540 16.084 -19.322 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.439 18.385 -19.227 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.773 17.461 -17.743 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.066 17.724 -18.937 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.200 17.243 -21.405 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.806 16.482 -21.305 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.356 15.475 -21.531 1.00 0.00 H new ATOM 304 N SER A 22 10.345 13.825 -16.787 1.00 0.00 N ATOM 305 CA SER A 22 10.782 12.680 -15.975 1.00 0.00 C ATOM 306 C SER A 22 9.739 12.387 -14.880 1.00 0.00 C ATOM 307 O SER A 22 9.450 13.246 -14.056 1.00 0.00 O ATOM 308 CB SER A 22 12.163 12.997 -15.351 1.00 0.00 C ATOM 309 OG SER A 22 12.144 14.239 -14.659 1.00 0.00 O ATOM 0 H SER A 22 9.915 14.570 -16.239 1.00 0.00 H new ATOM 0 HA SER A 22 10.874 11.794 -16.603 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.446 12.200 -14.664 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.920 13.026 -16.134 1.00 0.00 H new ATOM 0 HG SER A 22 13.028 14.412 -14.274 1.00 0.00 H new ATOM 315 N CYS A 23 9.206 11.157 -14.864 1.00 0.00 N ATOM 316 CA CYS A 23 8.198 10.705 -13.894 1.00 0.00 C ATOM 317 C CYS A 23 8.825 9.648 -12.987 1.00 0.00 C ATOM 318 O CYS A 23 9.108 8.529 -13.432 1.00 0.00 O ATOM 319 CB CYS A 23 6.962 10.123 -14.617 1.00 0.00 C ATOM 320 SG CYS A 23 5.655 9.545 -13.510 1.00 0.00 S ATOM 0 H CYS A 23 9.468 10.436 -15.536 1.00 0.00 H new ATOM 0 HA CYS A 23 7.867 11.555 -13.298 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.551 10.885 -15.279 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.282 9.293 -15.247 1.00 0.00 H new ATOM 0 HG CYS A 23 6.187 8.941 -12.489 1.00 0.00 H new ATOM 326 N VAL A 24 9.060 10.014 -11.727 1.00 0.00 N ATOM 327 CA VAL A 24 9.696 9.141 -10.741 1.00 0.00 C ATOM 328 C VAL A 24 8.623 8.231 -10.126 1.00 0.00 C ATOM 329 O VAL A 24 7.636 8.721 -9.565 1.00 0.00 O ATOM 330 CB VAL A 24 10.394 9.986 -9.617 1.00 0.00 C ATOM 331 CG1 VAL A 24 11.169 9.082 -8.626 1.00 0.00 C ATOM 332 CG2 VAL A 24 11.317 11.077 -10.229 1.00 0.00 C ATOM 0 H VAL A 24 8.812 10.932 -11.359 1.00 0.00 H new ATOM 0 HA VAL A 24 10.461 8.539 -11.232 1.00 0.00 H new ATOM 0 HB VAL A 24 9.612 10.492 -9.051 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.640 9.700 -7.861 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.478 8.384 -8.154 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.936 8.525 -9.165 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.787 11.647 -9.428 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.087 10.603 -10.837 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.725 11.747 -10.852 1.00 0.00 H new ATOM 342 N ALA A 25 8.823 6.915 -10.256 1.00 0.00 N ATOM 343 CA ALA A 25 7.881 5.900 -9.784 1.00 0.00 C ATOM 344 C ALA A 25 8.224 5.506 -8.338 1.00 0.00 C ATOM 345 O ALA A 25 9.271 4.900 -8.089 1.00 0.00 O ATOM 346 CB ALA A 25 7.914 4.669 -10.713 1.00 0.00 C ATOM 0 H ALA A 25 9.654 6.522 -10.698 1.00 0.00 H new ATOM 0 HA ALA A 25 6.871 6.310 -9.802 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.209 3.921 -10.351 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.638 4.969 -11.724 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.919 4.246 -10.721 1.00 0.00 H new ATOM 352 N SER A 26 7.355 5.938 -7.402 1.00 0.00 N ATOM 353 CA SER A 26 7.369 5.570 -5.957 1.00 0.00 C ATOM 354 C SER A 26 8.776 5.700 -5.309 1.00 0.00 C ATOM 355 O SER A 26 9.241 4.808 -4.574 1.00 0.00 O ATOM 356 CB SER A 26 6.714 4.169 -5.720 1.00 0.00 C ATOM 357 OG SER A 26 7.260 3.149 -6.534 1.00 0.00 O ATOM 0 H SER A 26 6.593 6.576 -7.632 1.00 0.00 H new ATOM 0 HA SER A 26 6.751 6.302 -5.438 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.835 3.892 -4.673 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.643 4.240 -5.909 1.00 0.00 H new ATOM 0 HG SER A 26 6.812 2.300 -6.339 1.00 0.00 H new ATOM 363 N GLY A 27 9.438 6.834 -5.613 1.00 0.00 N ATOM 364 CA GLY A 27 10.777 7.143 -5.091 1.00 0.00 C ATOM 365 C GLY A 27 11.884 6.515 -5.928 1.00 0.00 C ATOM 366 O GLY A 27 12.725 7.225 -6.491 1.00 0.00 O ATOM 0 H GLY A 27 9.058 7.556 -6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.914 8.224 -5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.855 6.787 -4.064 1.00 0.00 H new ATOM 370 N ARG A 28 11.874 5.170 -5.994 1.00 0.00 N ATOM 371 CA ARG A 28 12.832 4.375 -6.794 1.00 0.00 C ATOM 372 C ARG A 28 12.333 2.907 -6.947 1.00 0.00 C ATOM 373 O ARG A 28 13.074 2.014 -7.374 1.00 0.00 O ATOM 374 CB ARG A 28 14.247 4.433 -6.133 1.00 0.00 C ATOM 375 CG ARG A 28 15.392 3.878 -7.007 1.00 0.00 C ATOM 376 CD ARG A 28 16.775 3.989 -6.367 1.00 0.00 C ATOM 377 NE ARG A 28 17.818 3.395 -7.219 1.00 0.00 N ATOM 378 CZ ARG A 28 19.134 3.532 -7.037 1.00 0.00 C ATOM 379 NH1 ARG A 28 19.619 4.266 -6.045 1.00 0.00 N ATOM 380 NH2 ARG A 28 19.968 2.930 -7.863 1.00 0.00 N ATOM 0 H ARG A 28 11.196 4.598 -5.490 1.00 0.00 H new ATOM 0 HA ARG A 28 12.904 4.801 -7.795 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.472 5.469 -5.879 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.219 3.874 -5.198 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.190 2.830 -7.230 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.400 4.411 -7.958 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.008 5.038 -6.184 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.769 3.490 -5.398 1.00 0.00 H new ATOM 0 HE ARG A 28 17.511 2.833 -8.013 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.983 4.739 -5.403 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.628 4.357 -5.924 1.00 0.00 H new ATOM 0 HH21 ARG A 28 19.606 2.366 -8.632 1.00 0.00 H new ATOM 0 HH22 ARG A 28 20.975 3.028 -7.733 1.00 0.00 H new ATOM 394 N THR A 29 11.054 2.674 -6.640 1.00 0.00 N ATOM 395 CA THR A 29 10.452 1.330 -6.648 1.00 0.00 C ATOM 396 C THR A 29 9.534 1.175 -7.876 1.00 0.00 C ATOM 397 O THR A 29 9.040 2.165 -8.421 1.00 0.00 O ATOM 398 CB THR A 29 9.649 1.086 -5.319 1.00 0.00 C ATOM 399 OG1 THR A 29 10.466 1.453 -4.191 1.00 0.00 O ATOM 400 CG2 THR A 29 9.205 -0.385 -5.167 1.00 0.00 C ATOM 0 H THR A 29 10.401 3.412 -6.377 1.00 0.00 H new ATOM 0 HA THR A 29 11.244 0.584 -6.709 1.00 0.00 H new ATOM 0 HB THR A 29 8.751 1.702 -5.360 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.966 1.303 -3.362 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.654 -0.504 -4.234 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.564 -0.660 -6.005 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.083 -1.031 -5.155 1.00 0.00 H new ATOM 408 N PHE A 30 9.337 -0.072 -8.321 1.00 0.00 N ATOM 409 CA PHE A 30 8.321 -0.409 -9.323 1.00 0.00 C ATOM 410 C PHE A 30 7.200 -1.186 -8.618 1.00 0.00 C ATOM 411 O PHE A 30 7.423 -2.269 -8.085 1.00 0.00 O ATOM 412 CB PHE A 30 8.947 -1.224 -10.500 1.00 0.00 C ATOM 413 CG PHE A 30 9.790 -2.450 -10.108 1.00 0.00 C ATOM 414 CD1 PHE A 30 9.258 -3.746 -10.152 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.117 -2.306 -9.697 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.021 -4.841 -9.795 1.00 0.00 C ATOM 417 CE2 PHE A 30 11.876 -3.406 -9.340 1.00 0.00 C ATOM 418 CZ PHE A 30 11.328 -4.671 -9.389 1.00 0.00 C ATOM 0 H PHE A 30 9.877 -0.874 -7.997 1.00 0.00 H new ATOM 0 HA PHE A 30 7.908 0.498 -9.765 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.140 -1.558 -11.152 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.573 -0.552 -11.087 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.236 -3.891 -10.470 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.557 -1.321 -9.657 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.593 -5.832 -9.834 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.900 -3.274 -9.022 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.922 -5.528 -9.109 1.00 0.00 H new ATOM 428 N ARG A 31 5.992 -0.605 -8.612 1.00 0.00 N ATOM 429 CA ARG A 31 4.780 -1.215 -8.018 1.00 0.00 C ATOM 430 C ARG A 31 3.607 -1.126 -9.020 1.00 0.00 C ATOM 431 O ARG A 31 2.440 -1.320 -8.652 1.00 0.00 O ATOM 432 CB ARG A 31 4.408 -0.504 -6.674 1.00 0.00 C ATOM 433 CG ARG A 31 5.398 -0.658 -5.485 1.00 0.00 C ATOM 434 CD ARG A 31 5.446 -2.088 -4.887 1.00 0.00 C ATOM 435 NE ARG A 31 6.199 -3.042 -5.731 1.00 0.00 N ATOM 436 CZ ARG A 31 5.860 -4.316 -5.989 1.00 0.00 C ATOM 437 NH1 ARG A 31 4.774 -4.864 -5.458 1.00 0.00 N ATOM 438 NH2 ARG A 31 6.630 -5.041 -6.789 1.00 0.00 N ATOM 0 H ARG A 31 5.820 0.313 -9.023 1.00 0.00 H new ATOM 0 HA ARG A 31 4.983 -2.264 -7.801 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.289 0.560 -6.878 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.436 -0.878 -6.353 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.398 -0.381 -5.820 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.119 0.044 -4.700 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.903 -2.047 -3.898 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.428 -2.454 -4.753 1.00 0.00 H new ATOM 0 HE ARG A 31 7.059 -2.699 -6.159 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.176 -4.316 -4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.537 -5.833 -5.669 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.468 -4.630 -7.200 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.384 -6.010 -6.993 1.00 0.00 H new ATOM 452 N SER A 32 3.938 -0.861 -10.296 1.00 0.00 N ATOM 453 CA SER A 32 2.953 -0.648 -11.369 1.00 0.00 C ATOM 454 C SER A 32 3.434 -1.338 -12.652 1.00 0.00 C ATOM 455 O SER A 32 4.642 -1.413 -12.914 1.00 0.00 O ATOM 456 CB SER A 32 2.740 0.863 -11.609 1.00 0.00 C ATOM 457 OG SER A 32 1.762 1.095 -12.609 1.00 0.00 O ATOM 0 H SER A 32 4.905 -0.788 -10.613 1.00 0.00 H new ATOM 0 HA SER A 32 1.998 -1.082 -11.072 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.432 1.341 -10.679 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.683 1.322 -11.906 1.00 0.00 H new ATOM 0 HG SER A 32 2.185 1.506 -13.392 1.00 0.00 H new ATOM 463 N ASN A 33 2.469 -1.818 -13.448 1.00 0.00 N ATOM 464 CA ASN A 33 2.726 -2.545 -14.695 1.00 0.00 C ATOM 465 C ASN A 33 3.016 -1.539 -15.820 1.00 0.00 C ATOM 466 O ASN A 33 3.957 -1.716 -16.591 1.00 0.00 O ATOM 467 CB ASN A 33 1.497 -3.464 -15.011 1.00 0.00 C ATOM 468 CG ASN A 33 1.268 -3.738 -16.500 1.00 0.00 C ATOM 469 OD1 ASN A 33 1.839 -4.658 -17.086 1.00 0.00 O ATOM 470 ND2 ASN A 33 0.401 -2.939 -17.104 1.00 0.00 N ATOM 0 H ASN A 33 1.476 -1.710 -13.240 1.00 0.00 H new ATOM 0 HA ASN A 33 3.602 -3.186 -14.600 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.631 -4.416 -14.497 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.600 -3.002 -14.598 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.185 -3.075 -18.092 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.050 -2.188 -16.582 1.00 0.00 H new ATOM 477 N ALA A 34 2.220 -0.463 -15.882 1.00 0.00 N ATOM 478 CA ALA A 34 2.295 0.528 -16.973 1.00 0.00 C ATOM 479 C ALA A 34 2.468 1.950 -16.422 1.00 0.00 C ATOM 480 O ALA A 34 2.077 2.237 -15.292 1.00 0.00 O ATOM 481 CB ALA A 34 1.038 0.440 -17.854 1.00 0.00 C ATOM 0 H ALA A 34 1.508 -0.252 -15.183 1.00 0.00 H new ATOM 0 HA ALA A 34 3.170 0.299 -17.581 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.103 1.175 -18.656 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.964 -0.559 -18.283 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.154 0.641 -17.248 1.00 0.00 H new ATOM 487 N MET A 35 3.102 2.816 -17.229 1.00 0.00 N ATOM 488 CA MET A 35 3.183 4.263 -16.998 1.00 0.00 C ATOM 489 C MET A 35 2.841 4.951 -18.333 1.00 0.00 C ATOM 490 O MET A 35 3.560 4.765 -19.320 1.00 0.00 O ATOM 491 CB MET A 35 4.604 4.690 -16.499 1.00 0.00 C ATOM 492 CG MET A 35 5.099 3.973 -15.221 1.00 0.00 C ATOM 493 SD MET A 35 5.633 2.270 -15.537 1.00 0.00 S ATOM 494 CE MET A 35 6.099 1.708 -13.899 1.00 0.00 C ATOM 0 H MET A 35 3.583 2.520 -18.079 1.00 0.00 H new ATOM 0 HA MET A 35 2.484 4.559 -16.216 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.322 4.508 -17.299 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.598 5.764 -16.314 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.928 4.536 -14.792 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.300 3.967 -14.480 1.00 0.00 H new ATOM 0 HE1 MET A 35 5.999 0.624 -13.844 1.00 0.00 H new ATOM 0 HE2 MET A 35 7.133 1.988 -13.699 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.448 2.170 -13.157 1.00 0.00 H new ATOM 504 N GLY A 36 1.759 5.754 -18.365 1.00 0.00 N ATOM 505 CA GLY A 36 1.252 6.335 -19.617 1.00 0.00 C ATOM 506 C GLY A 36 1.197 7.852 -19.559 1.00 0.00 C ATOM 507 O GLY A 36 0.734 8.414 -18.568 1.00 0.00 O ATOM 0 H GLY A 36 1.222 6.013 -17.537 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.891 6.027 -20.445 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.255 5.944 -19.821 1.00 0.00 H new ATOM 511 N TRP A 37 1.659 8.508 -20.637 1.00 0.00 N ATOM 512 CA TRP A 37 1.693 9.974 -20.759 1.00 0.00 C ATOM 513 C TRP A 37 0.418 10.472 -21.454 1.00 0.00 C ATOM 514 O TRP A 37 0.031 9.953 -22.509 1.00 0.00 O ATOM 515 CB TRP A 37 2.946 10.415 -21.558 1.00 0.00 C ATOM 516 CG TRP A 37 4.251 10.031 -20.896 1.00 0.00 C ATOM 517 CD1 TRP A 37 5.034 8.939 -21.167 1.00 0.00 C ATOM 518 CD2 TRP A 37 4.912 10.744 -19.834 1.00 0.00 C ATOM 519 NE1 TRP A 37 6.146 8.947 -20.364 1.00 0.00 N ATOM 520 CE2 TRP A 37 6.091 10.039 -19.533 1.00 0.00 C ATOM 521 CE3 TRP A 37 4.623 11.919 -19.112 1.00 0.00 C ATOM 522 CZ2 TRP A 37 6.983 10.465 -18.552 1.00 0.00 C ATOM 523 CZ3 TRP A 37 5.512 12.340 -18.137 1.00 0.00 C ATOM 524 CH2 TRP A 37 6.679 11.613 -17.865 1.00 0.00 C ATOM 0 H TRP A 37 2.024 8.027 -21.459 1.00 0.00 H new ATOM 0 HA TRP A 37 1.744 10.411 -19.762 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.908 9.970 -22.552 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.920 11.497 -21.691 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.808 8.183 -21.905 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.894 8.253 -20.381 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.724 12.482 -19.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 7.885 9.910 -18.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.303 13.241 -17.579 1.00 0.00 H new ATOM 0 HH2 TRP A 37 7.353 11.964 -17.098 1.00 0.00 H new ATOM 535 N PHE A 38 -0.236 11.457 -20.829 1.00 0.00 N ATOM 536 CA PHE A 38 -1.436 12.128 -21.352 1.00 0.00 C ATOM 537 C PHE A 38 -1.266 13.638 -21.124 1.00 0.00 C ATOM 538 O PHE A 38 -0.834 14.040 -20.043 1.00 0.00 O ATOM 539 CB PHE A 38 -2.719 11.639 -20.614 1.00 0.00 C ATOM 540 CG PHE A 38 -3.027 10.143 -20.730 1.00 0.00 C ATOM 541 CD1 PHE A 38 -2.473 9.220 -19.835 1.00 0.00 C ATOM 542 CD2 PHE A 38 -3.882 9.661 -21.724 1.00 0.00 C ATOM 543 CE1 PHE A 38 -2.753 7.871 -19.941 1.00 0.00 C ATOM 544 CE2 PHE A 38 -4.161 8.312 -21.825 1.00 0.00 C ATOM 545 CZ PHE A 38 -3.600 7.417 -20.933 1.00 0.00 C ATOM 0 H PHE A 38 0.060 11.820 -19.923 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.548 11.897 -22.411 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.625 11.890 -19.558 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.572 12.197 -21.000 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.817 9.567 -19.050 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.331 10.352 -22.422 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.309 7.171 -19.248 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.819 7.955 -22.603 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.824 6.363 -21.012 1.00 0.00 H new ATOM 555 N ARG A 39 -1.593 14.476 -22.126 1.00 0.00 N ATOM 556 CA ARG A 39 -1.561 15.945 -21.958 1.00 0.00 C ATOM 557 C ARG A 39 -2.989 16.485 -21.798 1.00 0.00 C ATOM 558 O ARG A 39 -3.818 16.367 -22.692 1.00 0.00 O ATOM 559 CB ARG A 39 -0.830 16.653 -23.133 1.00 0.00 C ATOM 560 CG ARG A 39 -1.421 16.451 -24.551 1.00 0.00 C ATOM 561 CD ARG A 39 -0.790 17.408 -25.577 1.00 0.00 C ATOM 562 NE ARG A 39 -1.341 17.228 -26.936 1.00 0.00 N ATOM 563 CZ ARG A 39 -1.386 18.184 -27.884 1.00 0.00 C ATOM 564 NH1 ARG A 39 -0.797 19.358 -27.714 1.00 0.00 N ATOM 565 NH2 ARG A 39 -1.965 17.930 -29.039 1.00 0.00 N ATOM 0 H ARG A 39 -1.881 14.166 -23.054 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.992 16.165 -21.054 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.809 17.723 -22.924 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.204 16.310 -23.145 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.260 15.421 -24.868 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.499 16.610 -24.521 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.953 18.437 -25.256 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.288 17.249 -25.602 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.716 16.310 -27.175 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.294 19.556 -26.849 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.846 20.064 -28.448 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.377 17.013 -29.212 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.002 18.650 -29.760 1.00 0.00 H new ATOM 579 N GLN A 40 -3.245 17.090 -20.644 1.00 0.00 N ATOM 580 CA GLN A 40 -4.549 17.670 -20.287 1.00 0.00 C ATOM 581 C GLN A 40 -4.455 19.180 -20.503 1.00 0.00 C ATOM 582 O GLN A 40 -3.534 19.820 -19.995 1.00 0.00 O ATOM 583 CB GLN A 40 -4.869 17.342 -18.799 1.00 0.00 C ATOM 584 CG GLN A 40 -6.212 17.896 -18.260 1.00 0.00 C ATOM 585 CD GLN A 40 -7.455 17.113 -18.700 1.00 0.00 C ATOM 586 OE1 GLN A 40 -7.413 15.898 -18.891 1.00 0.00 O ATOM 587 NE2 GLN A 40 -8.570 17.802 -18.856 1.00 0.00 N ATOM 0 H GLN A 40 -2.543 17.197 -19.911 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.348 17.257 -20.903 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.870 16.259 -18.677 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.062 17.732 -18.179 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -6.173 17.906 -17.171 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.318 18.931 -18.585 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.575 18.808 -18.691 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.427 17.328 -19.142 1.00 0.00 H new ATOM 596 N ALA A 41 -5.413 19.748 -21.233 1.00 0.00 N ATOM 597 CA ALA A 41 -5.396 21.176 -21.593 1.00 0.00 C ATOM 598 C ALA A 41 -6.315 21.980 -20.649 1.00 0.00 C ATOM 599 O ALA A 41 -7.274 21.419 -20.108 1.00 0.00 O ATOM 600 CB ALA A 41 -5.810 21.341 -23.064 1.00 0.00 C ATOM 0 H ALA A 41 -6.221 19.240 -21.593 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.386 21.569 -21.477 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.797 22.398 -23.329 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.112 20.798 -23.701 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.815 20.944 -23.206 1.00 0.00 H new ATOM 606 N PRO A 42 -6.006 23.296 -20.394 1.00 0.00 N ATOM 607 CA PRO A 42 -6.901 24.195 -19.621 1.00 0.00 C ATOM 608 C PRO A 42 -8.315 24.297 -20.247 1.00 0.00 C ATOM 609 O PRO A 42 -8.519 25.008 -21.236 1.00 0.00 O ATOM 610 CB PRO A 42 -6.147 25.562 -19.635 1.00 0.00 C ATOM 611 CG PRO A 42 -4.712 25.187 -19.856 1.00 0.00 C ATOM 612 CD PRO A 42 -4.741 23.988 -20.774 1.00 0.00 C ATOM 0 HA PRO A 42 -7.088 23.831 -18.611 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.516 26.212 -20.428 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.278 26.099 -18.696 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.157 26.011 -20.305 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.220 24.947 -18.913 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.744 24.284 -21.823 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.872 23.347 -20.626 1.00 0.00 H new ATOM 620 N GLY A 43 -9.266 23.518 -19.695 1.00 0.00 N ATOM 621 CA GLY A 43 -10.664 23.535 -20.151 1.00 0.00 C ATOM 622 C GLY A 43 -11.004 22.427 -21.151 1.00 0.00 C ATOM 623 O GLY A 43 -12.177 22.247 -21.490 1.00 0.00 O ATOM 0 H GLY A 43 -9.087 22.868 -18.930 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.319 23.443 -19.285 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.875 24.501 -20.609 1.00 0.00 H new ATOM 627 N LYS A 44 -9.979 21.684 -21.624 1.00 0.00 N ATOM 628 CA LYS A 44 -10.147 20.562 -22.579 1.00 0.00 C ATOM 629 C LYS A 44 -9.544 19.270 -21.993 1.00 0.00 C ATOM 630 O LYS A 44 -8.618 19.321 -21.182 1.00 0.00 O ATOM 631 CB LYS A 44 -9.473 20.891 -23.947 1.00 0.00 C ATOM 632 CG LYS A 44 -9.982 22.166 -24.698 1.00 0.00 C ATOM 633 CD LYS A 44 -11.269 21.956 -25.556 1.00 0.00 C ATOM 634 CE LYS A 44 -12.570 21.821 -24.743 1.00 0.00 C ATOM 635 NZ LYS A 44 -13.762 21.694 -25.621 1.00 0.00 N ATOM 0 H LYS A 44 -9.008 21.845 -21.354 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.214 20.415 -22.747 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.402 21.001 -23.780 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.606 20.033 -24.606 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.176 22.948 -23.964 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.186 22.529 -25.348 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.372 22.796 -26.243 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.142 21.060 -26.164 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.503 20.948 -24.093 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.686 22.691 -24.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.617 21.605 -25.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.841 22.538 -26.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.664 20.849 -26.220 1.00 0.00 H new ATOM 649 N GLU A 45 -10.074 18.115 -22.439 1.00 0.00 N ATOM 650 CA GLU A 45 -9.666 16.775 -21.963 1.00 0.00 C ATOM 651 C GLU A 45 -8.239 16.392 -22.389 1.00 0.00 C ATOM 652 O GLU A 45 -7.581 17.108 -23.161 1.00 0.00 O ATOM 653 CB GLU A 45 -10.698 15.717 -22.448 1.00 0.00 C ATOM 654 CG GLU A 45 -12.031 15.749 -21.672 1.00 0.00 C ATOM 655 CD GLU A 45 -11.863 15.322 -20.200 1.00 0.00 C ATOM 656 OE1 GLU A 45 -11.719 14.108 -19.949 1.00 0.00 O ATOM 657 OE2 GLU A 45 -11.842 16.189 -19.299 1.00 0.00 O ATOM 0 H GLU A 45 -10.806 18.084 -23.148 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.653 16.803 -20.873 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.900 15.879 -23.507 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.258 14.724 -22.356 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.447 16.756 -21.710 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.748 15.089 -22.160 1.00 0.00 H new ATOM 664 N ARG A 46 -7.769 15.249 -21.849 1.00 0.00 N ATOM 665 CA ARG A 46 -6.414 14.753 -22.085 1.00 0.00 C ATOM 666 C ARG A 46 -6.327 13.972 -23.405 1.00 0.00 C ATOM 667 O ARG A 46 -7.207 13.167 -23.731 1.00 0.00 O ATOM 668 CB ARG A 46 -5.876 13.889 -20.895 1.00 0.00 C ATOM 669 CG ARG A 46 -6.488 12.470 -20.672 1.00 0.00 C ATOM 670 CD ARG A 46 -7.836 12.431 -19.895 1.00 0.00 C ATOM 671 NE ARG A 46 -9.025 12.779 -20.701 1.00 0.00 N ATOM 672 CZ ARG A 46 -9.564 12.009 -21.684 1.00 0.00 C ATOM 673 NH1 ARG A 46 -8.959 10.902 -22.120 1.00 0.00 N ATOM 674 NH2 ARG A 46 -10.716 12.367 -22.236 1.00 0.00 N ATOM 0 H ARG A 46 -8.325 14.650 -21.238 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.773 15.631 -22.161 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.801 13.769 -21.031 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.020 14.461 -19.978 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.637 12.002 -21.645 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.761 11.862 -20.133 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.973 11.431 -19.483 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.773 13.118 -19.051 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.479 13.671 -20.504 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.069 10.614 -21.714 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.387 10.344 -22.859 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.190 13.214 -21.923 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.127 11.795 -22.974 1.00 0.00 H new ATOM 688 N GLU A 47 -5.268 14.266 -24.173 1.00 0.00 N ATOM 689 CA GLU A 47 -4.903 13.523 -25.384 1.00 0.00 C ATOM 690 C GLU A 47 -3.801 12.506 -25.037 1.00 0.00 C ATOM 691 O GLU A 47 -2.919 12.797 -24.221 1.00 0.00 O ATOM 692 CB GLU A 47 -4.411 14.498 -26.494 1.00 0.00 C ATOM 693 CG GLU A 47 -4.028 13.809 -27.821 1.00 0.00 C ATOM 694 CD GLU A 47 -3.512 14.786 -28.884 1.00 0.00 C ATOM 695 OE1 GLU A 47 -4.329 15.326 -29.664 1.00 0.00 O ATOM 696 OE2 GLU A 47 -2.288 15.032 -28.939 1.00 0.00 O ATOM 0 H GLU A 47 -4.633 15.037 -23.966 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.779 12.995 -25.762 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.194 15.230 -26.691 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.547 15.048 -26.121 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.262 13.058 -27.625 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.898 13.282 -28.213 1.00 0.00 H new ATOM 703 N PHE A 48 -3.869 11.322 -25.664 1.00 0.00 N ATOM 704 CA PHE A 48 -2.888 10.244 -25.490 1.00 0.00 C ATOM 705 C PHE A 48 -1.558 10.629 -26.159 1.00 0.00 C ATOM 706 O PHE A 48 -1.519 10.919 -27.362 1.00 0.00 O ATOM 707 CB PHE A 48 -3.451 8.930 -26.100 1.00 0.00 C ATOM 708 CG PHE A 48 -2.546 7.714 -25.932 1.00 0.00 C ATOM 709 CD1 PHE A 48 -1.704 7.286 -26.963 1.00 0.00 C ATOM 710 CD2 PHE A 48 -2.530 7.001 -24.735 1.00 0.00 C ATOM 711 CE1 PHE A 48 -0.887 6.192 -26.796 1.00 0.00 C ATOM 712 CE2 PHE A 48 -1.712 5.907 -24.572 1.00 0.00 C ATOM 713 CZ PHE A 48 -0.892 5.504 -25.600 1.00 0.00 C ATOM 0 H PHE A 48 -4.618 11.085 -26.315 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.702 10.088 -24.427 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.415 8.715 -25.640 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.633 9.087 -27.163 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.695 7.821 -27.901 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.170 7.312 -23.922 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.242 5.872 -27.601 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.714 5.365 -23.638 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.249 4.646 -25.471 1.00 0.00 H new ATOM 723 N VAL A 49 -0.479 10.648 -25.367 1.00 0.00 N ATOM 724 CA VAL A 49 0.875 10.948 -25.860 1.00 0.00 C ATOM 725 C VAL A 49 1.650 9.631 -26.058 1.00 0.00 C ATOM 726 O VAL A 49 2.158 9.363 -27.156 1.00 0.00 O ATOM 727 CB VAL A 49 1.653 11.901 -24.877 1.00 0.00 C ATOM 728 CG1 VAL A 49 3.042 12.311 -25.449 1.00 0.00 C ATOM 729 CG2 VAL A 49 0.797 13.145 -24.521 1.00 0.00 C ATOM 0 H VAL A 49 -0.518 10.456 -24.366 1.00 0.00 H new ATOM 0 HA VAL A 49 0.787 11.468 -26.814 1.00 0.00 H new ATOM 0 HB VAL A 49 1.839 11.346 -23.957 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.547 12.968 -24.741 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.647 11.419 -25.611 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.906 12.833 -26.396 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.355 13.788 -23.841 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.561 13.697 -25.431 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.128 12.825 -24.041 1.00 0.00 H new ATOM 739 N ALA A 50 1.698 8.796 -24.991 1.00 0.00 N ATOM 740 CA ALA A 50 2.503 7.555 -24.980 1.00 0.00 C ATOM 741 C ALA A 50 2.071 6.589 -23.853 1.00 0.00 C ATOM 742 O ALA A 50 1.225 6.932 -23.022 1.00 0.00 O ATOM 743 CB ALA A 50 3.994 7.903 -24.847 1.00 0.00 C ATOM 0 H ALA A 50 1.186 8.963 -24.125 1.00 0.00 H new ATOM 0 HA ALA A 50 2.332 7.040 -25.925 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.582 6.986 -24.839 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.299 8.523 -25.690 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.159 8.448 -23.917 1.00 0.00 H new ATOM 749 N ALA A 51 2.668 5.370 -23.857 1.00 0.00 N ATOM 750 CA ALA A 51 2.423 4.319 -22.844 1.00 0.00 C ATOM 751 C ALA A 51 3.580 3.292 -22.845 1.00 0.00 C ATOM 752 O ALA A 51 3.883 2.671 -23.876 1.00 0.00 O ATOM 753 CB ALA A 51 1.072 3.618 -23.100 1.00 0.00 C ATOM 0 H ALA A 51 3.339 5.089 -24.572 1.00 0.00 H new ATOM 0 HA ALA A 51 2.379 4.790 -21.862 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.912 2.849 -22.344 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.267 4.351 -23.049 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.082 3.158 -24.088 1.00 0.00 H new ATOM 759 N ILE A 52 4.233 3.139 -21.676 1.00 0.00 N ATOM 760 CA ILE A 52 5.348 2.204 -21.463 1.00 0.00 C ATOM 761 C ILE A 52 4.884 1.155 -20.451 1.00 0.00 C ATOM 762 O ILE A 52 4.621 1.493 -19.304 1.00 0.00 O ATOM 763 CB ILE A 52 6.670 2.894 -20.905 1.00 0.00 C ATOM 764 CG1 ILE A 52 7.109 4.146 -21.750 1.00 0.00 C ATOM 765 CG2 ILE A 52 7.822 1.848 -20.818 1.00 0.00 C ATOM 766 CD1 ILE A 52 6.279 5.409 -21.524 1.00 0.00 C ATOM 0 H ILE A 52 3.994 3.673 -20.840 1.00 0.00 H new ATOM 0 HA ILE A 52 5.606 1.776 -22.432 1.00 0.00 H new ATOM 0 HB ILE A 52 6.444 3.265 -19.905 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.151 4.370 -21.522 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.063 3.885 -22.807 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.722 2.329 -20.435 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.530 1.040 -20.148 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.021 1.443 -21.810 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.662 6.213 -22.152 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.238 5.211 -21.781 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.344 5.704 -20.477 1.00 0.00 H new ATOM 778 N ARG A 53 4.790 -0.112 -20.872 1.00 0.00 N ATOM 779 CA ARG A 53 4.335 -1.211 -19.994 1.00 0.00 C ATOM 780 C ARG A 53 5.507 -2.136 -19.654 1.00 0.00 C ATOM 781 O ARG A 53 6.572 -2.052 -20.280 1.00 0.00 O ATOM 782 CB ARG A 53 3.159 -1.996 -20.650 1.00 0.00 C ATOM 783 CG ARG A 53 2.033 -1.080 -21.199 1.00 0.00 C ATOM 784 CD ARG A 53 0.674 -1.781 -21.325 1.00 0.00 C ATOM 785 NE ARG A 53 0.698 -2.989 -22.164 1.00 0.00 N ATOM 786 CZ ARG A 53 -0.261 -3.931 -22.168 1.00 0.00 C ATOM 787 NH1 ARG A 53 -1.302 -3.857 -21.336 1.00 0.00 N ATOM 788 NH2 ARG A 53 -0.166 -4.954 -23.001 1.00 0.00 N ATOM 0 H ARG A 53 5.023 -0.408 -21.820 1.00 0.00 H new ATOM 0 HA ARG A 53 3.961 -0.783 -19.064 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.550 -2.606 -21.464 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.734 -2.680 -19.915 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.927 -0.216 -20.542 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.329 -0.702 -22.178 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.322 -2.050 -20.329 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.049 -1.078 -21.739 1.00 0.00 H new ATOM 0 HE ARG A 53 1.496 -3.121 -22.785 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.379 -3.077 -20.684 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.021 -4.581 -21.353 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.631 -5.024 -23.634 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.889 -5.673 -23.010 1.00 0.00 H new ATOM 802 N TRP A 54 5.302 -3.008 -18.645 1.00 0.00 N ATOM 803 CA TRP A 54 6.292 -4.017 -18.219 1.00 0.00 C ATOM 804 C TRP A 54 6.599 -4.960 -19.401 1.00 0.00 C ATOM 805 O TRP A 54 7.759 -5.252 -19.705 1.00 0.00 O ATOM 806 CB TRP A 54 5.741 -4.803 -16.998 1.00 0.00 C ATOM 807 CG TRP A 54 6.682 -5.863 -16.446 1.00 0.00 C ATOM 808 CD1 TRP A 54 7.824 -5.658 -15.723 1.00 0.00 C ATOM 809 CD2 TRP A 54 6.551 -7.293 -16.573 1.00 0.00 C ATOM 810 NE1 TRP A 54 8.408 -6.860 -15.407 1.00 0.00 N ATOM 811 CE2 TRP A 54 7.651 -7.876 -15.917 1.00 0.00 C ATOM 812 CE3 TRP A 54 5.609 -8.128 -17.183 1.00 0.00 C ATOM 813 CZ2 TRP A 54 7.840 -9.254 -15.855 1.00 0.00 C ATOM 814 CZ3 TRP A 54 5.793 -9.498 -17.122 1.00 0.00 C ATOM 815 CH2 TRP A 54 6.904 -10.048 -16.461 1.00 0.00 C ATOM 0 H TRP A 54 4.440 -3.031 -18.100 1.00 0.00 H new ATOM 0 HA TRP A 54 7.219 -3.530 -17.918 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.507 -4.095 -16.203 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.804 -5.282 -17.284 1.00 0.00 H new ATOM 0 HD1 TRP A 54 8.211 -4.690 -15.441 1.00 0.00 H new ATOM 0 HE1 TRP A 54 9.271 -6.976 -14.875 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.753 -7.711 -17.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 8.693 -9.680 -15.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 5.073 -10.153 -17.589 1.00 0.00 H new ATOM 0 HH2 TRP A 54 7.022 -11.121 -16.430 1.00 0.00 H new ATOM 826 N SER A 55 5.519 -5.390 -20.073 1.00 0.00 N ATOM 827 CA SER A 55 5.577 -6.129 -21.342 1.00 0.00 C ATOM 828 C SER A 55 4.290 -5.843 -22.144 1.00 0.00 C ATOM 829 O SER A 55 3.292 -5.357 -21.583 1.00 0.00 O ATOM 830 CB SER A 55 5.756 -7.648 -21.085 1.00 0.00 C ATOM 831 OG SER A 55 5.900 -8.365 -22.302 1.00 0.00 O ATOM 0 H SER A 55 4.567 -5.231 -19.744 1.00 0.00 H new ATOM 0 HA SER A 55 6.439 -5.798 -21.921 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.633 -7.812 -20.458 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.895 -8.030 -20.536 1.00 0.00 H new ATOM 0 HG SER A 55 6.013 -9.319 -22.108 1.00 0.00 H new ATOM 837 N GLY A 56 4.333 -6.126 -23.456 1.00 0.00 N ATOM 838 CA GLY A 56 3.184 -5.925 -24.336 1.00 0.00 C ATOM 839 C GLY A 56 2.982 -4.468 -24.746 1.00 0.00 C ATOM 840 O GLY A 56 1.840 -4.017 -24.883 1.00 0.00 O ATOM 0 H GLY A 56 5.158 -6.496 -23.927 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.311 -6.533 -25.232 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.285 -6.282 -23.834 1.00 0.00 H new ATOM 844 N GLY A 57 4.088 -3.717 -24.881 1.00 0.00 N ATOM 845 CA GLY A 57 4.053 -2.357 -25.414 1.00 0.00 C ATOM 846 C GLY A 57 5.403 -1.680 -25.262 1.00 0.00 C ATOM 847 O GLY A 57 6.219 -1.692 -26.194 1.00 0.00 O ATOM 0 H GLY A 57 5.021 -4.038 -24.624 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.771 -2.382 -26.467 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.291 -1.778 -24.893 1.00 0.00 H new ATOM 851 N SER A 58 5.621 -1.079 -24.065 1.00 0.00 N ATOM 852 CA SER A 58 6.894 -0.416 -23.668 1.00 0.00 C ATOM 853 C SER A 58 7.223 0.846 -24.509 1.00 0.00 C ATOM 854 O SER A 58 8.253 1.487 -24.290 1.00 0.00 O ATOM 855 CB SER A 58 8.060 -1.434 -23.680 1.00 0.00 C ATOM 856 OG SER A 58 7.739 -2.565 -22.878 1.00 0.00 O ATOM 0 H SER A 58 4.908 -1.040 -23.336 1.00 0.00 H new ATOM 0 HA SER A 58 6.756 -0.054 -22.649 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.264 -1.751 -24.703 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.968 -0.961 -23.306 1.00 0.00 H new ATOM 0 HG SER A 58 7.340 -2.265 -22.035 1.00 0.00 H new ATOM 862 N THR A 59 6.281 1.231 -25.382 1.00 0.00 N ATOM 863 CA THR A 59 6.420 2.292 -26.402 1.00 0.00 C ATOM 864 C THR A 59 5.019 2.543 -26.982 1.00 0.00 C ATOM 865 O THR A 59 4.224 1.596 -27.087 1.00 0.00 O ATOM 866 CB THR A 59 7.407 1.908 -27.587 1.00 0.00 C ATOM 867 OG1 THR A 59 7.232 0.529 -27.941 1.00 0.00 O ATOM 868 CG2 THR A 59 8.890 2.181 -27.266 1.00 0.00 C ATOM 0 H THR A 59 5.359 0.795 -25.401 1.00 0.00 H new ATOM 0 HA THR A 59 6.846 3.173 -25.923 1.00 0.00 H new ATOM 0 HB THR A 59 7.147 2.553 -28.427 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.842 0.299 -28.673 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.505 1.895 -28.119 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.028 3.242 -27.058 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.187 1.599 -26.394 1.00 0.00 H new ATOM 876 N TYR A 60 4.727 3.800 -27.336 1.00 0.00 N ATOM 877 CA TYR A 60 3.458 4.197 -27.976 1.00 0.00 C ATOM 878 C TYR A 60 3.606 5.611 -28.556 1.00 0.00 C ATOM 879 O TYR A 60 4.066 6.522 -27.856 1.00 0.00 O ATOM 880 CB TYR A 60 2.244 4.111 -26.974 1.00 0.00 C ATOM 881 CG TYR A 60 1.196 3.030 -27.329 1.00 0.00 C ATOM 882 CD1 TYR A 60 1.070 1.848 -26.582 1.00 0.00 C ATOM 883 CD2 TYR A 60 0.337 3.197 -28.422 1.00 0.00 C ATOM 884 CE1 TYR A 60 0.136 0.887 -26.917 1.00 0.00 C ATOM 885 CE2 TYR A 60 -0.596 2.237 -28.756 1.00 0.00 C ATOM 886 CZ TYR A 60 -0.691 1.084 -27.999 1.00 0.00 C ATOM 887 OH TYR A 60 -1.622 0.128 -28.318 1.00 0.00 O ATOM 0 H TYR A 60 5.367 4.580 -27.187 1.00 0.00 H new ATOM 0 HA TYR A 60 3.240 3.499 -28.784 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.628 3.912 -25.974 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.749 5.081 -26.938 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.715 1.687 -25.731 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.406 4.096 -29.016 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.055 -0.017 -26.331 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.248 2.385 -29.604 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.129 0.415 -29.106 1.00 0.00 H new ATOM 897 N TYR A 61 3.220 5.773 -29.835 1.00 0.00 N ATOM 898 CA TYR A 61 3.348 7.038 -30.569 1.00 0.00 C ATOM 899 C TYR A 61 2.482 7.016 -31.838 1.00 0.00 C ATOM 900 O TYR A 61 2.265 5.956 -32.444 1.00 0.00 O ATOM 901 CB TYR A 61 4.843 7.320 -30.924 1.00 0.00 C ATOM 902 CG TYR A 61 5.536 6.202 -31.742 1.00 0.00 C ATOM 903 CD1 TYR A 61 5.585 6.244 -33.142 1.00 0.00 C ATOM 904 CD2 TYR A 61 6.137 5.105 -31.109 1.00 0.00 C ATOM 905 CE1 TYR A 61 6.204 5.244 -33.870 1.00 0.00 C ATOM 906 CE2 TYR A 61 6.755 4.104 -31.837 1.00 0.00 C ATOM 907 CZ TYR A 61 6.786 4.176 -33.214 1.00 0.00 C ATOM 908 OH TYR A 61 7.409 3.177 -33.937 1.00 0.00 O ATOM 0 H TYR A 61 2.808 5.022 -30.389 1.00 0.00 H new ATOM 0 HA TYR A 61 2.993 7.845 -29.927 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.899 8.251 -31.487 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.399 7.473 -29.999 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.130 7.074 -33.663 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.117 5.040 -30.031 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.232 5.298 -34.948 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.212 3.268 -31.328 1.00 0.00 H new ATOM 0 HH TYR A 61 7.766 2.502 -33.322 1.00 0.00 H new ATOM 918 N ALA A 62 1.980 8.198 -32.203 1.00 0.00 N ATOM 919 CA ALA A 62 1.303 8.445 -33.486 1.00 0.00 C ATOM 920 C ALA A 62 2.325 8.943 -34.530 1.00 0.00 C ATOM 921 O ALA A 62 3.415 9.383 -34.164 1.00 0.00 O ATOM 922 CB ALA A 62 0.186 9.481 -33.286 1.00 0.00 C ATOM 0 H ALA A 62 2.031 9.026 -31.609 1.00 0.00 H new ATOM 0 HA ALA A 62 0.861 7.518 -33.850 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.315 9.664 -34.237 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.536 9.103 -32.562 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.615 10.413 -32.917 1.00 0.00 H new ATOM 928 N ASP A 63 1.948 8.906 -35.828 1.00 0.00 N ATOM 929 CA ASP A 63 2.804 9.389 -36.942 1.00 0.00 C ATOM 930 C ASP A 63 3.009 10.916 -36.879 1.00 0.00 C ATOM 931 O ASP A 63 3.958 11.440 -37.467 1.00 0.00 O ATOM 932 CB ASP A 63 2.192 9.001 -38.311 1.00 0.00 C ATOM 933 CG ASP A 63 2.101 7.481 -38.518 1.00 0.00 C ATOM 934 OD1 ASP A 63 1.021 6.897 -38.267 1.00 0.00 O ATOM 935 OD2 ASP A 63 3.114 6.856 -38.905 1.00 0.00 O ATOM 0 H ASP A 63 1.046 8.542 -36.135 1.00 0.00 H new ATOM 0 HA ASP A 63 3.776 8.908 -36.834 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.195 9.434 -38.393 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.795 9.435 -39.109 1.00 0.00 H new ATOM 940 N SER A 64 2.093 11.621 -36.178 1.00 0.00 N ATOM 941 CA SER A 64 2.185 13.078 -35.956 1.00 0.00 C ATOM 942 C SER A 64 3.376 13.429 -35.033 1.00 0.00 C ATOM 943 O SER A 64 4.073 14.425 -35.253 1.00 0.00 O ATOM 944 CB SER A 64 0.863 13.602 -35.338 1.00 0.00 C ATOM 945 OG SER A 64 -0.267 13.230 -36.115 1.00 0.00 O ATOM 0 H SER A 64 1.271 11.195 -35.751 1.00 0.00 H new ATOM 0 HA SER A 64 2.351 13.559 -36.920 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.754 13.210 -34.327 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.906 14.688 -35.256 1.00 0.00 H new ATOM 0 HG SER A 64 -1.082 13.576 -35.694 1.00 0.00 H new ATOM 951 N VAL A 65 3.602 12.577 -34.013 1.00 0.00 N ATOM 952 CA VAL A 65 4.625 12.801 -32.969 1.00 0.00 C ATOM 953 C VAL A 65 5.855 11.879 -33.160 1.00 0.00 C ATOM 954 O VAL A 65 6.847 12.017 -32.443 1.00 0.00 O ATOM 955 CB VAL A 65 4.007 12.593 -31.533 1.00 0.00 C ATOM 956 CG1 VAL A 65 2.821 13.560 -31.279 1.00 0.00 C ATOM 957 CG2 VAL A 65 3.593 11.115 -31.282 1.00 0.00 C ATOM 0 H VAL A 65 3.079 11.710 -33.889 1.00 0.00 H new ATOM 0 HA VAL A 65 4.965 13.832 -33.064 1.00 0.00 H new ATOM 0 HB VAL A 65 4.791 12.832 -30.815 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.419 13.389 -30.280 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.168 14.590 -31.359 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.041 13.381 -32.019 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.173 11.020 -30.281 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.847 10.816 -32.019 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.469 10.472 -31.371 1.00 0.00 H new ATOM 967 N LYS A 66 5.764 10.946 -34.131 1.00 0.00 N ATOM 968 CA LYS A 66 6.811 9.932 -34.419 1.00 0.00 C ATOM 969 C LYS A 66 8.174 10.573 -34.745 1.00 0.00 C ATOM 970 O LYS A 66 8.251 11.511 -35.550 1.00 0.00 O ATOM 971 CB LYS A 66 6.348 9.038 -35.601 1.00 0.00 C ATOM 972 CG LYS A 66 7.382 7.997 -36.106 1.00 0.00 C ATOM 973 CD LYS A 66 6.840 7.130 -37.267 1.00 0.00 C ATOM 974 CE LYS A 66 6.404 7.964 -38.486 1.00 0.00 C ATOM 975 NZ LYS A 66 5.924 7.112 -39.602 1.00 0.00 N ATOM 0 H LYS A 66 4.954 10.871 -34.746 1.00 0.00 H new ATOM 0 HA LYS A 66 6.948 9.329 -33.521 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.445 8.508 -35.299 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.074 9.684 -36.435 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.282 8.516 -36.435 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.672 7.349 -35.279 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.609 6.422 -37.574 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.992 6.545 -36.911 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.612 8.652 -38.190 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.242 8.571 -38.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.073 7.606 -40.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.451 6.216 -39.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.910 6.916 -39.478 1.00 0.00 H new ATOM 989 N GLY A 67 9.231 10.068 -34.080 1.00 0.00 N ATOM 990 CA GLY A 67 10.609 10.520 -34.300 1.00 0.00 C ATOM 991 C GLY A 67 11.003 11.720 -33.448 1.00 0.00 C ATOM 992 O GLY A 67 12.189 11.914 -33.152 1.00 0.00 O ATOM 0 H GLY A 67 9.148 9.335 -33.376 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.290 9.696 -34.089 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.735 10.776 -35.352 1.00 0.00 H new ATOM 996 N ARG A 68 10.003 12.529 -33.062 1.00 0.00 N ATOM 997 CA ARG A 68 10.206 13.754 -32.279 1.00 0.00 C ATOM 998 C ARG A 68 9.961 13.438 -30.794 1.00 0.00 C ATOM 999 O ARG A 68 10.838 13.621 -29.945 1.00 0.00 O ATOM 1000 CB ARG A 68 9.247 14.895 -32.753 1.00 0.00 C ATOM 1001 CG ARG A 68 8.854 14.886 -34.247 1.00 0.00 C ATOM 1002 CD ARG A 68 8.188 16.210 -34.702 1.00 0.00 C ATOM 1003 NE ARG A 68 7.303 16.800 -33.664 1.00 0.00 N ATOM 1004 CZ ARG A 68 6.035 17.195 -33.838 1.00 0.00 C ATOM 1005 NH1 ARG A 68 5.406 16.995 -34.981 1.00 0.00 N ATOM 1006 NH2 ARG A 68 5.404 17.796 -32.845 1.00 0.00 N ATOM 0 H ARG A 68 9.025 12.348 -33.287 1.00 0.00 H new ATOM 0 HA ARG A 68 11.229 14.103 -32.424 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.334 14.843 -32.159 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.718 15.852 -32.529 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.744 14.706 -34.851 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.170 14.058 -34.433 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.964 16.930 -34.963 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.607 16.026 -35.606 1.00 0.00 H new ATOM 0 HE ARG A 68 7.699 16.915 -32.731 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.886 16.532 -35.753 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.440 17.304 -35.092 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.883 17.955 -31.958 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.438 18.102 -32.965 1.00 0.00 H new ATOM 1020 N PHE A 69 8.733 12.979 -30.507 1.00 0.00 N ATOM 1021 CA PHE A 69 8.328 12.508 -29.181 1.00 0.00 C ATOM 1022 C PHE A 69 8.740 11.030 -29.065 1.00 0.00 C ATOM 1023 O PHE A 69 8.312 10.194 -29.871 1.00 0.00 O ATOM 1024 CB PHE A 69 6.790 12.654 -28.978 1.00 0.00 C ATOM 1025 CG PHE A 69 6.228 14.092 -28.970 1.00 0.00 C ATOM 1026 CD1 PHE A 69 6.517 14.999 -29.997 1.00 0.00 C ATOM 1027 CD2 PHE A 69 5.375 14.529 -27.946 1.00 0.00 C ATOM 1028 CE1 PHE A 69 5.987 16.277 -29.997 1.00 0.00 C ATOM 1029 CE2 PHE A 69 4.849 15.811 -27.948 1.00 0.00 C ATOM 1030 CZ PHE A 69 5.155 16.683 -28.974 1.00 0.00 C ATOM 0 H PHE A 69 7.987 12.925 -31.200 1.00 0.00 H new ATOM 0 HA PHE A 69 8.815 13.107 -28.412 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.287 12.096 -29.768 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.524 12.179 -28.034 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.166 14.695 -30.805 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.124 13.854 -27.141 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.225 16.959 -30.800 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.199 16.129 -27.146 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.744 17.682 -28.976 1.00 0.00 H new ATOM 1040 N THR A 70 9.584 10.729 -28.074 1.00 0.00 N ATOM 1041 CA THR A 70 10.136 9.395 -27.838 1.00 0.00 C ATOM 1042 C THR A 70 10.145 9.133 -26.329 1.00 0.00 C ATOM 1043 O THR A 70 10.378 10.052 -25.535 1.00 0.00 O ATOM 1044 CB THR A 70 11.587 9.276 -28.427 1.00 0.00 C ATOM 1045 OG1 THR A 70 11.571 9.621 -29.823 1.00 0.00 O ATOM 1046 CG2 THR A 70 12.165 7.857 -28.268 1.00 0.00 C ATOM 0 H THR A 70 9.909 11.422 -27.400 1.00 0.00 H new ATOM 0 HA THR A 70 9.518 8.651 -28.340 1.00 0.00 H new ATOM 0 HB THR A 70 12.222 9.963 -27.868 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.477 9.548 -30.188 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.169 7.824 -28.690 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.207 7.598 -27.210 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.528 7.144 -28.791 1.00 0.00 H new ATOM 1054 N ILE A 71 9.878 7.878 -25.942 1.00 0.00 N ATOM 1055 CA ILE A 71 9.746 7.467 -24.537 1.00 0.00 C ATOM 1056 C ILE A 71 10.668 6.289 -24.221 1.00 0.00 C ATOM 1057 O ILE A 71 10.928 5.432 -25.075 1.00 0.00 O ATOM 1058 CB ILE A 71 8.265 7.088 -24.143 1.00 0.00 C ATOM 1059 CG1 ILE A 71 7.632 5.980 -25.071 1.00 0.00 C ATOM 1060 CG2 ILE A 71 7.385 8.342 -24.081 1.00 0.00 C ATOM 1061 CD1 ILE A 71 7.228 6.400 -26.479 1.00 0.00 C ATOM 0 H ILE A 71 9.746 7.112 -26.602 1.00 0.00 H new ATOM 0 HA ILE A 71 10.037 8.334 -23.944 1.00 0.00 H new ATOM 0 HB ILE A 71 8.311 6.644 -23.148 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.346 5.161 -25.154 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.749 5.584 -24.570 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.368 8.060 -23.808 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.783 9.030 -23.335 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.377 8.829 -25.056 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.808 5.544 -27.008 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.482 7.193 -26.422 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.104 6.764 -27.016 1.00 0.00 H new ATOM 1073 N SER A 72 11.166 6.288 -22.977 1.00 0.00 N ATOM 1074 CA SER A 72 11.999 5.224 -22.423 1.00 0.00 C ATOM 1075 C SER A 72 11.787 5.186 -20.906 1.00 0.00 C ATOM 1076 O SER A 72 11.688 6.241 -20.278 1.00 0.00 O ATOM 1077 CB SER A 72 13.493 5.480 -22.743 1.00 0.00 C ATOM 1078 OG SER A 72 13.724 5.583 -24.141 1.00 0.00 O ATOM 0 H SER A 72 10.994 7.046 -22.317 1.00 0.00 H new ATOM 0 HA SER A 72 11.718 4.269 -22.867 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.817 6.398 -22.253 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.096 4.670 -22.334 1.00 0.00 H new ATOM 0 HG SER A 72 14.677 5.746 -24.304 1.00 0.00 H new ATOM 1084 N ARG A 73 11.728 3.985 -20.324 1.00 0.00 N ATOM 1085 CA ARG A 73 11.691 3.818 -18.865 1.00 0.00 C ATOM 1086 C ARG A 73 13.037 3.266 -18.402 1.00 0.00 C ATOM 1087 O ARG A 73 13.491 2.225 -18.887 1.00 0.00 O ATOM 1088 CB ARG A 73 10.547 2.863 -18.425 1.00 0.00 C ATOM 1089 CG ARG A 73 10.575 2.502 -16.911 1.00 0.00 C ATOM 1090 CD ARG A 73 9.477 1.513 -16.487 1.00 0.00 C ATOM 1091 NE ARG A 73 9.742 0.967 -15.137 1.00 0.00 N ATOM 1092 CZ ARG A 73 9.480 -0.289 -14.743 1.00 0.00 C ATOM 1093 NH1 ARG A 73 8.856 -1.149 -15.542 1.00 0.00 N ATOM 1094 NH2 ARG A 73 9.848 -0.683 -13.540 1.00 0.00 N ATOM 0 H ARG A 73 11.705 3.107 -20.843 1.00 0.00 H new ATOM 0 HA ARG A 73 11.499 4.788 -18.407 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.589 3.327 -18.660 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.609 1.945 -19.009 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.548 2.076 -16.667 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.472 3.417 -16.327 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.509 2.014 -16.496 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.420 0.697 -17.208 1.00 0.00 H new ATOM 0 HE ARG A 73 10.158 1.596 -14.450 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.566 -0.859 -16.476 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.667 -2.099 -15.221 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.328 -0.035 -12.916 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.652 -1.636 -13.233 1.00 0.00 H new ATOM 1108 N ASP A 74 13.672 3.997 -17.483 1.00 0.00 N ATOM 1109 CA ASP A 74 14.862 3.543 -16.770 1.00 0.00 C ATOM 1110 C ASP A 74 14.425 2.740 -15.530 1.00 0.00 C ATOM 1111 O ASP A 74 13.552 3.183 -14.785 1.00 0.00 O ATOM 1112 CB ASP A 74 15.739 4.753 -16.359 1.00 0.00 C ATOM 1113 CG ASP A 74 17.053 4.309 -15.710 1.00 0.00 C ATOM 1114 OD1 ASP A 74 17.061 4.060 -14.505 1.00 0.00 O ATOM 1115 OD2 ASP A 74 18.071 4.180 -16.414 1.00 0.00 O ATOM 0 H ASP A 74 13.368 4.932 -17.212 1.00 0.00 H new ATOM 0 HA ASP A 74 15.459 2.904 -17.421 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.955 5.361 -17.238 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.185 5.384 -15.664 1.00 0.00 H new ATOM 1120 N ASN A 75 15.012 1.550 -15.348 1.00 0.00 N ATOM 1121 CA ASN A 75 14.710 0.654 -14.210 1.00 0.00 C ATOM 1122 C ASN A 75 15.632 0.955 -13.000 1.00 0.00 C ATOM 1123 O ASN A 75 15.226 0.753 -11.851 1.00 0.00 O ATOM 1124 CB ASN A 75 14.849 -0.832 -14.669 1.00 0.00 C ATOM 1125 CG ASN A 75 13.994 -1.861 -13.897 1.00 0.00 C ATOM 1126 OD1 ASN A 75 13.638 -2.903 -14.450 1.00 0.00 O ATOM 1127 ND2 ASN A 75 13.623 -1.597 -12.648 1.00 0.00 N ATOM 0 H ASN A 75 15.714 1.174 -15.986 1.00 0.00 H new ATOM 0 HA ASN A 75 13.685 0.829 -13.883 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.587 -0.891 -15.725 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.896 -1.122 -14.583 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.038 -2.260 -12.139 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.923 -0.732 -12.199 1.00 0.00 H new ATOM 1134 N ALA A 76 16.858 1.462 -13.273 1.00 0.00 N ATOM 1135 CA ALA A 76 17.918 1.663 -12.249 1.00 0.00 C ATOM 1136 C ALA A 76 17.456 2.589 -11.110 1.00 0.00 C ATOM 1137 O ALA A 76 17.701 2.297 -9.936 1.00 0.00 O ATOM 1138 CB ALA A 76 19.201 2.203 -12.903 1.00 0.00 C ATOM 0 H ALA A 76 17.143 1.745 -14.211 1.00 0.00 H new ATOM 0 HA ALA A 76 18.130 0.691 -11.805 1.00 0.00 H new ATOM 0 HB1 ALA A 76 19.966 2.345 -12.140 1.00 0.00 H new ATOM 0 HB2 ALA A 76 19.558 1.491 -13.647 1.00 0.00 H new ATOM 0 HB3 ALA A 76 18.989 3.157 -13.386 1.00 0.00 H new ATOM 1144 N LYS A 77 16.776 3.700 -11.459 1.00 0.00 N ATOM 1145 CA LYS A 77 16.142 4.590 -10.452 1.00 0.00 C ATOM 1146 C LYS A 77 14.612 4.656 -10.639 1.00 0.00 C ATOM 1147 O LYS A 77 13.943 5.449 -9.962 1.00 0.00 O ATOM 1148 CB LYS A 77 16.776 6.020 -10.428 1.00 0.00 C ATOM 1149 CG LYS A 77 16.722 6.832 -11.745 1.00 0.00 C ATOM 1150 CD LYS A 77 17.889 6.513 -12.701 1.00 0.00 C ATOM 1151 CE LYS A 77 17.859 7.378 -13.968 1.00 0.00 C ATOM 1152 NZ LYS A 77 17.907 8.820 -13.653 1.00 0.00 N ATOM 0 H LYS A 77 16.649 4.005 -12.424 1.00 0.00 H new ATOM 0 HA LYS A 77 16.341 4.145 -9.477 1.00 0.00 H new ATOM 0 HB2 LYS A 77 16.277 6.599 -9.651 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.820 5.923 -10.132 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.779 6.628 -12.252 1.00 0.00 H new ATOM 0 HG3 LYS A 77 16.734 7.896 -11.509 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.834 6.668 -12.181 1.00 0.00 H new ATOM 0 HD3 LYS A 77 17.848 5.461 -12.982 1.00 0.00 H new ATOM 0 HE2 LYS A 77 18.704 7.118 -14.605 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.954 7.160 -14.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.031 9.276 -13.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 18.003 8.948 -12.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 18.721 9.253 -14.133 1.00 0.00 H new ATOM 1166 N ASN A 78 14.079 3.766 -11.514 1.00 0.00 N ATOM 1167 CA ASN A 78 12.640 3.678 -11.864 1.00 0.00 C ATOM 1168 C ASN A 78 12.040 5.056 -12.186 1.00 0.00 C ATOM 1169 O ASN A 78 11.241 5.607 -11.421 1.00 0.00 O ATOM 1170 CB ASN A 78 11.819 2.906 -10.787 1.00 0.00 C ATOM 1171 CG ASN A 78 12.088 1.396 -10.814 1.00 0.00 C ATOM 1172 OD1 ASN A 78 11.454 0.661 -11.571 1.00 0.00 O ATOM 1173 ND2 ASN A 78 13.031 0.919 -10.008 1.00 0.00 N ATOM 0 H ASN A 78 14.649 3.077 -12.005 1.00 0.00 H new ATOM 0 HA ASN A 78 12.572 3.090 -12.779 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.063 3.298 -9.799 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.756 3.085 -10.948 1.00 0.00 H new ATOM 0 HD21 ASN A 78 13.244 -0.078 -10.007 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.541 1.550 -9.391 1.00 0.00 H new ATOM 1180 N THR A 79 12.499 5.635 -13.301 1.00 0.00 N ATOM 1181 CA THR A 79 12.037 6.944 -13.783 1.00 0.00 C ATOM 1182 C THR A 79 11.766 6.861 -15.297 1.00 0.00 C ATOM 1183 O THR A 79 12.601 6.363 -16.053 1.00 0.00 O ATOM 1184 CB THR A 79 13.097 8.060 -13.467 1.00 0.00 C ATOM 1185 OG1 THR A 79 13.403 8.060 -12.057 1.00 0.00 O ATOM 1186 CG2 THR A 79 12.605 9.463 -13.874 1.00 0.00 C ATOM 0 H THR A 79 13.206 5.207 -13.899 1.00 0.00 H new ATOM 0 HA THR A 79 11.114 7.210 -13.268 1.00 0.00 H new ATOM 0 HB THR A 79 13.989 7.832 -14.051 1.00 0.00 H new ATOM 0 HG1 THR A 79 14.065 8.757 -11.866 1.00 0.00 H new ATOM 0 HG21 THR A 79 13.371 10.201 -13.636 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.404 9.481 -14.945 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.691 9.700 -13.329 1.00 0.00 H new ATOM 1194 N VAL A 80 10.595 7.357 -15.724 1.00 0.00 N ATOM 1195 CA VAL A 80 10.144 7.295 -17.128 1.00 0.00 C ATOM 1196 C VAL A 80 10.322 8.675 -17.779 1.00 0.00 C ATOM 1197 O VAL A 80 9.912 9.678 -17.212 1.00 0.00 O ATOM 1198 CB VAL A 80 8.637 6.858 -17.217 1.00 0.00 C ATOM 1199 CG1 VAL A 80 8.190 6.656 -18.688 1.00 0.00 C ATOM 1200 CG2 VAL A 80 8.381 5.586 -16.373 1.00 0.00 C ATOM 0 H VAL A 80 9.928 7.816 -15.103 1.00 0.00 H new ATOM 0 HA VAL A 80 10.745 6.554 -17.655 1.00 0.00 H new ATOM 0 HB VAL A 80 8.032 7.665 -16.802 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.143 6.354 -18.712 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.311 7.590 -19.237 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.801 5.881 -19.151 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.331 5.303 -16.450 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.004 4.772 -16.743 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.627 5.786 -15.330 1.00 0.00 H new ATOM 1210 N TYR A 81 10.927 8.715 -18.966 1.00 0.00 N ATOM 1211 CA TYR A 81 11.261 9.966 -19.666 1.00 0.00 C ATOM 1212 C TYR A 81 10.409 10.125 -20.933 1.00 0.00 C ATOM 1213 O TYR A 81 10.195 9.157 -21.672 1.00 0.00 O ATOM 1214 CB TYR A 81 12.773 9.977 -20.014 1.00 0.00 C ATOM 1215 CG TYR A 81 13.680 9.941 -18.774 1.00 0.00 C ATOM 1216 CD1 TYR A 81 14.118 8.728 -18.222 1.00 0.00 C ATOM 1217 CD2 TYR A 81 14.079 11.122 -18.142 1.00 0.00 C ATOM 1218 CE1 TYR A 81 14.912 8.701 -17.090 1.00 0.00 C ATOM 1219 CE2 TYR A 81 14.878 11.098 -17.016 1.00 0.00 C ATOM 1220 CZ TYR A 81 15.289 9.890 -16.491 1.00 0.00 C ATOM 1221 OH TYR A 81 16.065 9.874 -15.355 1.00 0.00 O ATOM 0 H TYR A 81 11.203 7.877 -19.477 1.00 0.00 H new ATOM 0 HA TYR A 81 11.041 10.809 -19.011 1.00 0.00 H new ATOM 0 HB2 TYR A 81 13.000 9.119 -20.647 1.00 0.00 H new ATOM 0 HB3 TYR A 81 12.999 10.871 -20.596 1.00 0.00 H new ATOM 0 HD1 TYR A 81 13.830 7.798 -18.690 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.756 12.072 -18.542 1.00 0.00 H new ATOM 0 HE1 TYR A 81 15.236 7.758 -16.676 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.181 12.023 -16.547 1.00 0.00 H new ATOM 0 HH TYR A 81 16.240 10.794 -15.065 1.00 0.00 H new ATOM 1231 N LEU A 82 9.924 11.361 -21.157 1.00 0.00 N ATOM 1232 CA LEU A 82 9.185 11.754 -22.368 1.00 0.00 C ATOM 1233 C LEU A 82 9.956 12.896 -23.053 1.00 0.00 C ATOM 1234 O LEU A 82 9.854 14.055 -22.649 1.00 0.00 O ATOM 1235 CB LEU A 82 7.746 12.198 -21.977 1.00 0.00 C ATOM 1236 CG LEU A 82 6.852 12.791 -23.112 1.00 0.00 C ATOM 1237 CD1 LEU A 82 6.594 11.785 -24.249 1.00 0.00 C ATOM 1238 CD2 LEU A 82 5.531 13.350 -22.541 1.00 0.00 C ATOM 0 H LEU A 82 10.037 12.125 -20.491 1.00 0.00 H new ATOM 0 HA LEU A 82 9.099 10.917 -23.060 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.229 11.336 -21.554 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.825 12.942 -21.185 1.00 0.00 H new ATOM 0 HG LEU A 82 7.408 13.618 -23.554 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.968 12.249 -25.011 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.544 11.486 -24.693 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.088 10.906 -23.849 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.927 13.757 -23.352 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.981 12.550 -22.046 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.751 14.139 -21.821 1.00 0.00 H new ATOM 1250 N GLN A 83 10.756 12.546 -24.064 1.00 0.00 N ATOM 1251 CA GLN A 83 11.531 13.514 -24.856 1.00 0.00 C ATOM 1252 C GLN A 83 10.674 14.028 -26.020 1.00 0.00 C ATOM 1253 O GLN A 83 10.458 13.316 -26.989 1.00 0.00 O ATOM 1254 CB GLN A 83 12.840 12.852 -25.372 1.00 0.00 C ATOM 1255 CG GLN A 83 13.730 13.746 -26.266 1.00 0.00 C ATOM 1256 CD GLN A 83 14.143 15.066 -25.607 1.00 0.00 C ATOM 1257 OE1 GLN A 83 15.148 15.129 -24.908 1.00 0.00 O ATOM 1258 NE2 GLN A 83 13.386 16.134 -25.853 1.00 0.00 N ATOM 0 H GLN A 83 10.887 11.579 -24.360 1.00 0.00 H new ATOM 0 HA GLN A 83 11.807 14.363 -24.230 1.00 0.00 H new ATOM 0 HB2 GLN A 83 13.427 12.529 -24.512 1.00 0.00 H new ATOM 0 HB3 GLN A 83 12.576 11.955 -25.933 1.00 0.00 H new ATOM 0 HG2 GLN A 83 14.627 13.191 -26.539 1.00 0.00 H new ATOM 0 HG3 GLN A 83 13.196 13.964 -27.191 1.00 0.00 H new ATOM 0 HE21 GLN A 83 12.556 16.047 -26.439 1.00 0.00 H new ATOM 0 HE22 GLN A 83 13.636 17.039 -25.455 1.00 0.00 H new ATOM 1267 N MET A 84 10.176 15.264 -25.894 1.00 0.00 N ATOM 1268 CA MET A 84 9.282 15.889 -26.880 1.00 0.00 C ATOM 1269 C MET A 84 10.063 16.903 -27.733 1.00 0.00 C ATOM 1270 O MET A 84 10.369 17.994 -27.257 1.00 0.00 O ATOM 1271 CB MET A 84 8.120 16.618 -26.156 1.00 0.00 C ATOM 1272 CG MET A 84 7.397 15.816 -25.077 1.00 0.00 C ATOM 1273 SD MET A 84 5.939 16.676 -24.440 1.00 0.00 S ATOM 1274 CE MET A 84 6.593 18.258 -23.882 1.00 0.00 C ATOM 0 H MET A 84 10.384 15.866 -25.097 1.00 0.00 H new ATOM 0 HA MET A 84 8.876 15.110 -27.525 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.514 17.527 -25.702 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.389 16.926 -26.903 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.097 14.851 -25.485 1.00 0.00 H new ATOM 0 HG3 MET A 84 8.085 15.615 -24.256 1.00 0.00 H new ATOM 0 HE1 MET A 84 6.114 18.539 -22.944 1.00 0.00 H new ATOM 0 HE2 MET A 84 7.669 18.173 -23.729 1.00 0.00 H new ATOM 0 HE3 MET A 84 6.393 19.020 -24.635 1.00 0.00 H new ATOM 1284 N ASN A 85 10.406 16.535 -28.975 1.00 0.00 N ATOM 1285 CA ASN A 85 11.067 17.458 -29.934 1.00 0.00 C ATOM 1286 C ASN A 85 10.016 18.155 -30.816 1.00 0.00 C ATOM 1287 O ASN A 85 8.952 17.574 -31.091 1.00 0.00 O ATOM 1288 CB ASN A 85 12.100 16.707 -30.817 1.00 0.00 C ATOM 1289 CG ASN A 85 13.305 16.147 -30.049 1.00 0.00 C ATOM 1290 OD1 ASN A 85 13.226 15.835 -28.860 1.00 0.00 O ATOM 1291 ND2 ASN A 85 14.438 16.007 -30.732 1.00 0.00 N ATOM 0 H ASN A 85 10.239 15.601 -29.349 1.00 0.00 H new ATOM 0 HA ASN A 85 11.603 18.213 -29.359 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.595 15.885 -31.325 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.461 17.386 -31.589 1.00 0.00 H new ATOM 0 HD21 ASN A 85 15.268 15.634 -30.272 1.00 0.00 H new ATOM 0 HD22 ASN A 85 14.477 16.273 -31.716 1.00 0.00 H new ATOM 1298 N SER A 86 10.339 19.399 -31.238 1.00 0.00 N ATOM 1299 CA SER A 86 9.498 20.239 -32.113 1.00 0.00 C ATOM 1300 C SER A 86 8.099 20.439 -31.505 1.00 0.00 C ATOM 1301 O SER A 86 7.113 19.820 -31.926 1.00 0.00 O ATOM 1302 CB SER A 86 9.443 19.672 -33.558 1.00 0.00 C ATOM 1303 OG SER A 86 8.717 20.522 -34.433 1.00 0.00 O ATOM 0 H SER A 86 11.212 19.854 -30.972 1.00 0.00 H new ATOM 0 HA SER A 86 9.958 21.225 -32.184 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.457 19.543 -33.936 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.980 18.685 -33.543 1.00 0.00 H new ATOM 0 HG SER A 86 8.706 20.133 -35.332 1.00 0.00 H new ATOM 1309 N LEU A 87 8.051 21.260 -30.451 1.00 0.00 N ATOM 1310 CA LEU A 87 6.813 21.559 -29.719 1.00 0.00 C ATOM 1311 C LEU A 87 5.981 22.628 -30.433 1.00 0.00 C ATOM 1312 O LEU A 87 6.480 23.364 -31.281 1.00 0.00 O ATOM 1313 CB LEU A 87 7.143 21.963 -28.261 1.00 0.00 C ATOM 1314 CG LEU A 87 7.643 20.787 -27.369 1.00 0.00 C ATOM 1315 CD1 LEU A 87 8.012 21.260 -25.954 1.00 0.00 C ATOM 1316 CD2 LEU A 87 6.595 19.653 -27.332 1.00 0.00 C ATOM 0 H LEU A 87 8.872 21.738 -30.079 1.00 0.00 H new ATOM 0 HA LEU A 87 6.201 20.657 -29.692 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.905 22.742 -28.276 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.252 22.396 -27.806 1.00 0.00 H new ATOM 0 HG LEU A 87 8.555 20.393 -27.816 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.356 20.410 -25.364 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.806 22.004 -26.015 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.136 21.701 -25.478 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.961 18.840 -26.705 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.660 20.035 -26.922 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.424 19.283 -28.343 1.00 0.00 H new ATOM 1328 N LYS A 88 4.702 22.673 -30.082 1.00 0.00 N ATOM 1329 CA LYS A 88 3.712 23.600 -30.642 1.00 0.00 C ATOM 1330 C LYS A 88 3.089 24.410 -29.478 1.00 0.00 C ATOM 1331 O LYS A 88 3.040 23.904 -28.352 1.00 0.00 O ATOM 1332 CB LYS A 88 2.642 22.816 -31.477 1.00 0.00 C ATOM 1333 CG LYS A 88 2.033 21.542 -30.820 1.00 0.00 C ATOM 1334 CD LYS A 88 2.903 20.268 -30.963 1.00 0.00 C ATOM 1335 CE LYS A 88 2.285 19.048 -30.245 1.00 0.00 C ATOM 1336 NZ LYS A 88 0.924 18.724 -30.746 1.00 0.00 N ATOM 0 H LYS A 88 4.307 22.048 -29.379 1.00 0.00 H new ATOM 0 HA LYS A 88 4.183 24.300 -31.332 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.826 23.500 -31.711 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.097 22.525 -32.424 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.869 21.738 -29.760 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.056 21.351 -31.264 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.032 20.037 -32.020 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.895 20.462 -30.555 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.934 18.183 -30.381 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.237 19.246 -29.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.594 17.841 -30.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.272 19.496 -30.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.953 18.608 -31.779 1.00 0.00 H new ATOM 1350 N PRO A 89 2.635 25.695 -29.714 1.00 0.00 N ATOM 1351 CA PRO A 89 2.160 26.610 -28.628 1.00 0.00 C ATOM 1352 C PRO A 89 0.970 26.049 -27.797 1.00 0.00 C ATOM 1353 O PRO A 89 0.749 26.474 -26.654 1.00 0.00 O ATOM 1354 CB PRO A 89 1.756 27.909 -29.395 1.00 0.00 C ATOM 1355 CG PRO A 89 1.576 27.478 -30.821 1.00 0.00 C ATOM 1356 CD PRO A 89 2.585 26.376 -31.036 1.00 0.00 C ATOM 0 HA PRO A 89 2.936 26.764 -27.878 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.837 28.335 -28.993 1.00 0.00 H new ATOM 0 HB3 PRO A 89 2.527 28.674 -29.308 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.561 27.122 -30.999 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.748 28.307 -31.507 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.274 25.695 -31.828 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.559 26.773 -31.321 1.00 0.00 H new ATOM 1364 N GLU A 90 0.226 25.085 -28.378 1.00 0.00 N ATOM 1365 CA GLU A 90 -0.930 24.428 -27.715 1.00 0.00 C ATOM 1366 C GLU A 90 -0.496 23.508 -26.543 1.00 0.00 C ATOM 1367 O GLU A 90 -1.342 23.082 -25.752 1.00 0.00 O ATOM 1368 CB GLU A 90 -1.756 23.611 -28.749 1.00 0.00 C ATOM 1369 CG GLU A 90 -0.958 22.491 -29.435 1.00 0.00 C ATOM 1370 CD GLU A 90 -1.737 21.641 -30.456 1.00 0.00 C ATOM 1371 OE1 GLU A 90 -1.508 20.414 -30.518 1.00 0.00 O ATOM 1372 OE2 GLU A 90 -2.541 22.200 -31.227 1.00 0.00 O ATOM 0 H GLU A 90 0.406 24.737 -29.320 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.549 25.222 -27.297 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.619 23.174 -28.247 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.140 24.290 -29.511 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.102 22.938 -29.941 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.563 21.828 -28.665 1.00 0.00 H new ATOM 1379 N ASP A 91 0.825 23.216 -26.432 1.00 0.00 N ATOM 1380 CA ASP A 91 1.393 22.438 -25.304 1.00 0.00 C ATOM 1381 C ASP A 91 1.565 23.316 -24.042 1.00 0.00 C ATOM 1382 O ASP A 91 2.270 22.935 -23.103 1.00 0.00 O ATOM 1383 CB ASP A 91 2.753 21.797 -25.693 1.00 0.00 C ATOM 1384 CG ASP A 91 2.678 20.825 -26.872 1.00 0.00 C ATOM 1385 OD1 ASP A 91 1.803 19.935 -26.867 1.00 0.00 O ATOM 1386 OD2 ASP A 91 3.512 20.930 -27.792 1.00 0.00 O ATOM 0 H ASP A 91 1.521 23.511 -27.117 1.00 0.00 H new ATOM 0 HA ASP A 91 0.685 21.642 -25.075 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.459 22.591 -25.937 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.153 21.269 -24.827 1.00 0.00 H new ATOM 1391 N THR A 92 0.945 24.511 -24.025 1.00 0.00 N ATOM 1392 CA THR A 92 0.698 25.234 -22.776 1.00 0.00 C ATOM 1393 C THR A 92 -0.447 24.498 -22.040 1.00 0.00 C ATOM 1394 O THR A 92 -1.637 24.781 -22.250 1.00 0.00 O ATOM 1395 CB THR A 92 0.349 26.728 -23.064 1.00 0.00 C ATOM 1396 OG1 THR A 92 1.427 27.312 -23.809 1.00 0.00 O ATOM 1397 CG2 THR A 92 0.111 27.551 -21.782 1.00 0.00 C ATOM 0 H THR A 92 0.610 24.989 -24.861 1.00 0.00 H new ATOM 0 HA THR A 92 1.588 25.248 -22.147 1.00 0.00 H new ATOM 0 HB THR A 92 -0.583 26.746 -23.628 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.317 27.105 -24.760 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.127 28.580 -22.049 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.719 27.120 -21.222 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.011 27.535 -21.167 1.00 0.00 H new ATOM 1405 N ALA A 93 -0.048 23.519 -21.214 1.00 0.00 N ATOM 1406 CA ALA A 93 -0.953 22.513 -20.632 1.00 0.00 C ATOM 1407 C ALA A 93 -0.231 21.726 -19.523 1.00 0.00 C ATOM 1408 O ALA A 93 0.935 21.992 -19.224 1.00 0.00 O ATOM 1409 CB ALA A 93 -1.444 21.563 -21.749 1.00 0.00 C ATOM 0 H ALA A 93 0.924 23.401 -20.927 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.814 23.011 -20.186 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.114 20.816 -21.323 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.976 22.137 -22.508 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.589 21.065 -22.205 1.00 0.00 H new ATOM 1415 N VAL A 94 -0.918 20.754 -18.918 1.00 0.00 N ATOM 1416 CA VAL A 94 -0.337 19.895 -17.876 1.00 0.00 C ATOM 1417 C VAL A 94 -0.164 18.461 -18.418 1.00 0.00 C ATOM 1418 O VAL A 94 -1.139 17.760 -18.704 1.00 0.00 O ATOM 1419 CB VAL A 94 -1.191 19.941 -16.542 1.00 0.00 C ATOM 1420 CG1 VAL A 94 -2.697 19.646 -16.780 1.00 0.00 C ATOM 1421 CG2 VAL A 94 -0.597 19.009 -15.458 1.00 0.00 C ATOM 0 H VAL A 94 -1.891 20.538 -19.134 1.00 0.00 H new ATOM 0 HA VAL A 94 0.650 20.275 -17.614 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.132 20.965 -16.174 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.231 19.691 -15.831 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.109 20.388 -17.464 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.809 18.652 -17.212 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.207 19.065 -14.556 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.586 17.983 -15.826 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.421 19.322 -15.227 1.00 0.00 H new ATOM 1431 N TYR A 95 1.100 18.047 -18.591 1.00 0.00 N ATOM 1432 CA TYR A 95 1.447 16.672 -18.979 1.00 0.00 C ATOM 1433 C TYR A 95 1.471 15.804 -17.711 1.00 0.00 C ATOM 1434 O TYR A 95 2.339 15.960 -16.858 1.00 0.00 O ATOM 1435 CB TYR A 95 2.824 16.623 -19.716 1.00 0.00 C ATOM 1436 CG TYR A 95 2.757 16.873 -21.239 1.00 0.00 C ATOM 1437 CD1 TYR A 95 2.544 18.150 -21.765 1.00 0.00 C ATOM 1438 CD2 TYR A 95 2.915 15.820 -22.148 1.00 0.00 C ATOM 1439 CE1 TYR A 95 2.496 18.367 -23.136 1.00 0.00 C ATOM 1440 CE2 TYR A 95 2.868 16.033 -23.513 1.00 0.00 C ATOM 1441 CZ TYR A 95 2.656 17.303 -24.005 1.00 0.00 C ATOM 1442 OH TYR A 95 2.598 17.499 -25.369 1.00 0.00 O ATOM 0 H TYR A 95 1.909 18.655 -18.466 1.00 0.00 H new ATOM 0 HA TYR A 95 0.701 16.289 -19.676 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.485 17.366 -19.270 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.278 15.647 -19.542 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.414 18.985 -21.092 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.077 14.820 -21.775 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.334 19.363 -23.522 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.997 15.205 -24.194 1.00 0.00 H new ATOM 0 HH TYR A 95 2.297 18.413 -25.556 1.00 0.00 H new ATOM 1452 N LEU A 96 0.484 14.917 -17.582 1.00 0.00 N ATOM 1453 CA LEU A 96 0.362 14.008 -16.438 1.00 0.00 C ATOM 1454 C LEU A 96 0.698 12.572 -16.865 1.00 0.00 C ATOM 1455 O LEU A 96 0.580 12.209 -18.042 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.070 14.134 -15.828 1.00 0.00 C ATOM 1457 CG LEU A 96 -2.302 13.838 -16.781 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -2.695 12.338 -16.813 1.00 0.00 C ATOM 1459 CD2 LEU A 96 -3.524 14.720 -16.423 1.00 0.00 C ATOM 0 H LEU A 96 -0.259 14.807 -18.272 1.00 0.00 H new ATOM 0 HA LEU A 96 1.077 14.281 -15.662 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.133 13.456 -14.977 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.182 15.146 -15.439 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.973 14.100 -17.787 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.544 12.199 -17.482 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.851 11.748 -17.170 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.967 12.012 -15.809 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.349 14.490 -17.097 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.828 14.520 -15.396 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.256 15.772 -16.524 1.00 0.00 H new ATOM 1471 N CYS A 97 1.133 11.780 -15.893 1.00 0.00 N ATOM 1472 CA CYS A 97 1.421 10.363 -16.056 1.00 0.00 C ATOM 1473 C CYS A 97 0.336 9.556 -15.329 1.00 0.00 C ATOM 1474 O CYS A 97 -0.353 10.077 -14.446 1.00 0.00 O ATOM 1475 CB CYS A 97 2.825 10.041 -15.504 1.00 0.00 C ATOM 1476 SG CYS A 97 3.329 8.315 -15.703 1.00 0.00 S ATOM 0 H CYS A 97 1.299 12.116 -14.944 1.00 0.00 H new ATOM 0 HA CYS A 97 1.415 10.095 -17.112 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.554 10.679 -16.004 1.00 0.00 H new ATOM 0 HB3 CYS A 97 2.852 10.295 -14.444 1.00 0.00 H new ATOM 0 HG CYS A 97 4.431 8.106 -15.046 1.00 0.00 H new ATOM 1482 N ALA A 98 0.169 8.301 -15.730 1.00 0.00 N ATOM 1483 CA ALA A 98 -0.795 7.374 -15.120 1.00 0.00 C ATOM 1484 C ALA A 98 -0.079 6.063 -14.797 1.00 0.00 C ATOM 1485 O ALA A 98 0.805 5.658 -15.537 1.00 0.00 O ATOM 1486 CB ALA A 98 -1.977 7.132 -16.075 1.00 0.00 C ATOM 0 H ALA A 98 0.702 7.888 -16.495 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.192 7.803 -14.200 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.684 6.444 -15.612 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.476 8.078 -16.284 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.610 6.702 -17.007 1.00 0.00 H new ATOM 1492 N ALA A 99 -0.469 5.399 -13.703 1.00 0.00 N ATOM 1493 CA ALA A 99 0.104 4.101 -13.297 1.00 0.00 C ATOM 1494 C ALA A 99 -0.978 3.030 -13.484 1.00 0.00 C ATOM 1495 O ALA A 99 -1.987 3.051 -12.786 1.00 0.00 O ATOM 1496 CB ALA A 99 0.584 4.166 -11.831 1.00 0.00 C ATOM 0 H ALA A 99 -1.191 5.743 -13.070 1.00 0.00 H new ATOM 0 HA ALA A 99 0.971 3.854 -13.909 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.005 3.203 -11.543 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.346 4.939 -11.732 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.259 4.402 -11.182 1.00 0.00 H new ATOM 1502 N GLY A 100 -0.748 2.091 -14.416 1.00 0.00 N ATOM 1503 CA GLY A 100 -1.782 1.169 -14.885 1.00 0.00 C ATOM 1504 C GLY A 100 -1.457 -0.289 -14.635 1.00 0.00 C ATOM 1505 O GLY A 100 -0.312 -0.649 -14.343 1.00 0.00 O ATOM 0 H GLY A 100 0.159 1.954 -14.861 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.723 1.412 -14.392 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.933 1.320 -15.954 1.00 0.00 H new ATOM 1509 N VAL A 101 -2.499 -1.122 -14.750 1.00 0.00 N ATOM 1510 CA VAL A 101 -2.427 -2.585 -14.654 1.00 0.00 C ATOM 1511 C VAL A 101 -3.105 -3.157 -15.906 1.00 0.00 C ATOM 1512 O VAL A 101 -4.226 -2.743 -16.243 1.00 0.00 O ATOM 1513 CB VAL A 101 -3.149 -3.136 -13.360 1.00 0.00 C ATOM 1514 CG1 VAL A 101 -3.114 -4.694 -13.312 1.00 0.00 C ATOM 1515 CG2 VAL A 101 -2.528 -2.526 -12.075 1.00 0.00 C ATOM 0 H VAL A 101 -3.447 -0.785 -14.918 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.382 -2.889 -14.585 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.194 -2.830 -13.408 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.618 -5.042 -12.410 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.620 -5.097 -14.189 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.079 -5.035 -13.303 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.043 -2.921 -11.199 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.471 -2.786 -12.023 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.634 -1.441 -12.099 1.00 0.00 H new ATOM 1525 N TRP A 102 -2.422 -4.093 -16.588 1.00 0.00 N ATOM 1526 CA TRP A 102 -2.940 -4.733 -17.807 1.00 0.00 C ATOM 1527 C TRP A 102 -4.132 -5.655 -17.468 1.00 0.00 C ATOM 1528 O TRP A 102 -4.135 -6.334 -16.429 1.00 0.00 O ATOM 1529 CB TRP A 102 -1.806 -5.529 -18.534 1.00 0.00 C ATOM 1530 CG TRP A 102 -1.393 -6.827 -17.849 1.00 0.00 C ATOM 1531 CD1 TRP A 102 -0.602 -6.978 -16.736 1.00 0.00 C ATOM 1532 CD2 TRP A 102 -1.787 -8.160 -18.235 1.00 0.00 C ATOM 1533 NE1 TRP A 102 -0.487 -8.310 -16.418 1.00 0.00 N ATOM 1534 CE2 TRP A 102 -1.202 -9.053 -17.322 1.00 0.00 C ATOM 1535 CE3 TRP A 102 -2.581 -8.675 -19.265 1.00 0.00 C ATOM 1536 CZ2 TRP A 102 -1.386 -10.433 -17.408 1.00 0.00 C ATOM 1537 CZ3 TRP A 102 -2.760 -10.043 -19.351 1.00 0.00 C ATOM 1538 CH2 TRP A 102 -2.166 -10.909 -18.426 1.00 0.00 C ATOM 0 H TRP A 102 -1.499 -4.425 -16.310 1.00 0.00 H new ATOM 0 HA TRP A 102 -3.294 -3.955 -18.484 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -2.135 -5.759 -19.547 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -0.930 -4.887 -18.622 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -0.139 -6.169 -16.191 1.00 0.00 H new ATOM 0 HE1 TRP A 102 0.046 -8.686 -15.634 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -3.047 -8.015 -19.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -0.928 -11.103 -16.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -3.368 -10.450 -20.145 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.326 -11.973 -18.518 1.00 0.00 H new ATOM 1549 N ARG A 103 -5.162 -5.627 -18.323 1.00 0.00 N ATOM 1550 CA ARG A 103 -6.240 -6.629 -18.320 1.00 0.00 C ATOM 1551 C ARG A 103 -6.012 -7.576 -19.498 1.00 0.00 C ATOM 1552 O ARG A 103 -5.497 -7.165 -20.547 1.00 0.00 O ATOM 1553 CB ARG A 103 -7.648 -5.964 -18.432 1.00 0.00 C ATOM 1554 CG ARG A 103 -8.059 -5.093 -17.218 1.00 0.00 C ATOM 1555 CD ARG A 103 -8.090 -5.891 -15.907 1.00 0.00 C ATOM 1556 NE ARG A 103 -8.540 -5.081 -14.765 1.00 0.00 N ATOM 1557 CZ ARG A 103 -8.443 -5.439 -13.481 1.00 0.00 C ATOM 1558 NH1 ARG A 103 -7.811 -6.551 -13.132 1.00 0.00 N ATOM 1559 NH2 ARG A 103 -8.956 -4.657 -12.545 1.00 0.00 N ATOM 0 H ARG A 103 -5.273 -4.908 -19.038 1.00 0.00 H new ATOM 0 HA ARG A 103 -6.217 -7.174 -17.376 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -7.670 -5.345 -19.329 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.394 -6.748 -18.567 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -7.361 -4.262 -17.118 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.043 -4.662 -17.401 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -8.752 -6.749 -16.023 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -7.094 -6.283 -15.700 1.00 0.00 H new ATOM 0 HE ARG A 103 -8.959 -4.174 -14.969 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.391 -7.145 -13.847 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.744 -6.812 -12.148 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -9.422 -3.788 -12.806 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -8.886 -4.924 -11.563 1.00 0.00 H new ATOM 1573 N SER A 104 -6.402 -8.845 -19.318 1.00 0.00 N ATOM 1574 CA SER A 104 -6.405 -9.845 -20.400 1.00 0.00 C ATOM 1575 C SER A 104 -7.519 -9.519 -21.427 1.00 0.00 C ATOM 1576 O SER A 104 -7.514 -10.022 -22.557 1.00 0.00 O ATOM 1577 CB SER A 104 -6.586 -11.258 -19.807 1.00 0.00 C ATOM 1578 OG SER A 104 -6.505 -12.255 -20.808 1.00 0.00 O ATOM 0 H SER A 104 -6.724 -9.209 -18.421 1.00 0.00 H new ATOM 0 HA SER A 104 -5.449 -9.814 -20.923 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.821 -11.437 -19.051 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.552 -11.322 -19.305 1.00 0.00 H new ATOM 0 HG SER A 104 -6.622 -13.138 -20.400 1.00 0.00 H new ATOM 1584 N SER A 105 -8.473 -8.668 -20.997 1.00 0.00 N ATOM 1585 CA SER A 105 -9.488 -8.047 -21.865 1.00 0.00 C ATOM 1586 C SER A 105 -8.838 -7.055 -22.864 1.00 0.00 C ATOM 1587 O SER A 105 -9.437 -6.700 -23.884 1.00 0.00 O ATOM 1588 CB SER A 105 -10.532 -7.332 -20.972 1.00 0.00 C ATOM 1589 OG SER A 105 -11.601 -6.775 -21.724 1.00 0.00 O ATOM 0 H SER A 105 -8.559 -8.390 -20.019 1.00 0.00 H new ATOM 0 HA SER A 105 -9.981 -8.818 -22.457 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.933 -8.041 -20.248 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.040 -6.541 -20.405 1.00 0.00 H new ATOM 0 HG SER A 105 -12.234 -6.336 -21.118 1.00 0.00 H new ATOM 1595 N GLY A 106 -7.609 -6.611 -22.545 1.00 0.00 N ATOM 1596 CA GLY A 106 -6.826 -5.735 -23.423 1.00 0.00 C ATOM 1597 C GLY A 106 -6.734 -4.311 -22.906 1.00 0.00 C ATOM 1598 O GLY A 106 -5.755 -3.605 -23.179 1.00 0.00 O ATOM 0 H GLY A 106 -7.136 -6.850 -21.674 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -5.821 -6.142 -23.532 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.276 -5.728 -24.416 1.00 0.00 H new ATOM 1602 N TRP A 107 -7.767 -3.889 -22.162 1.00 0.00 N ATOM 1603 CA TRP A 107 -7.857 -2.533 -21.599 1.00 0.00 C ATOM 1604 C TRP A 107 -6.882 -2.391 -20.416 1.00 0.00 C ATOM 1605 O TRP A 107 -7.098 -2.993 -19.368 1.00 0.00 O ATOM 1606 CB TRP A 107 -9.313 -2.251 -21.127 1.00 0.00 C ATOM 1607 CG TRP A 107 -10.360 -2.321 -22.227 1.00 0.00 C ATOM 1608 CD1 TRP A 107 -10.901 -3.450 -22.791 1.00 0.00 C ATOM 1609 CD2 TRP A 107 -11.000 -1.209 -22.880 1.00 0.00 C ATOM 1610 NE1 TRP A 107 -11.816 -3.104 -23.750 1.00 0.00 N ATOM 1611 CE2 TRP A 107 -11.899 -1.739 -23.822 1.00 0.00 C ATOM 1612 CE3 TRP A 107 -10.898 0.182 -22.755 1.00 0.00 C ATOM 1613 CZ2 TRP A 107 -12.688 -0.929 -24.640 1.00 0.00 C ATOM 1614 CZ3 TRP A 107 -11.682 0.987 -23.564 1.00 0.00 C ATOM 1615 CH2 TRP A 107 -12.569 0.428 -24.494 1.00 0.00 C ATOM 0 H TRP A 107 -8.566 -4.480 -21.933 1.00 0.00 H new ATOM 0 HA TRP A 107 -7.588 -1.809 -22.368 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -9.574 -2.968 -20.349 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -9.348 -1.261 -20.672 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -10.643 -4.463 -22.518 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -12.351 -3.759 -24.320 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -10.219 0.620 -22.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -13.368 -1.357 -25.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -11.609 2.061 -23.477 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -13.171 1.081 -25.108 1.00 0.00 H new ATOM 1626 N ASP A 108 -5.808 -1.606 -20.585 1.00 0.00 N ATOM 1627 CA ASP A 108 -4.852 -1.350 -19.493 1.00 0.00 C ATOM 1628 C ASP A 108 -5.429 -0.231 -18.614 1.00 0.00 C ATOM 1629 O ASP A 108 -5.413 0.942 -19.005 1.00 0.00 O ATOM 1630 CB ASP A 108 -3.455 -0.964 -20.047 1.00 0.00 C ATOM 1631 CG ASP A 108 -2.352 -0.979 -18.963 1.00 0.00 C ATOM 1632 OD1 ASP A 108 -2.299 -0.050 -18.125 1.00 0.00 O ATOM 1633 OD2 ASP A 108 -1.536 -1.930 -18.949 1.00 0.00 O ATOM 0 H ASP A 108 -5.579 -1.139 -21.462 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.712 -2.255 -18.901 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -3.183 -1.655 -20.845 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -3.508 0.030 -20.491 1.00 0.00 H new ATOM 1638 N THR A 109 -5.968 -0.618 -17.452 1.00 0.00 N ATOM 1639 CA THR A 109 -6.696 0.295 -16.557 1.00 0.00 C ATOM 1640 C THR A 109 -5.716 1.160 -15.714 1.00 0.00 C ATOM 1641 O THR A 109 -4.942 0.610 -14.916 1.00 0.00 O ATOM 1642 CB THR A 109 -7.705 -0.492 -15.631 1.00 0.00 C ATOM 1643 OG1 THR A 109 -8.338 0.413 -14.713 1.00 0.00 O ATOM 1644 CG2 THR A 109 -7.053 -1.655 -14.844 1.00 0.00 C ATOM 0 H THR A 109 -5.913 -1.575 -17.103 1.00 0.00 H new ATOM 0 HA THR A 109 -7.280 0.971 -17.182 1.00 0.00 H new ATOM 0 HB THR A 109 -8.441 -0.940 -16.298 1.00 0.00 H new ATOM 0 HG1 THR A 109 -8.963 -0.083 -14.144 1.00 0.00 H new ATOM 0 HG21 THR A 109 -7.808 -2.148 -14.231 1.00 0.00 H new ATOM 0 HG22 THR A 109 -6.628 -2.374 -15.544 1.00 0.00 H new ATOM 0 HG23 THR A 109 -6.264 -1.263 -14.202 1.00 0.00 H new ATOM 1652 N PRO A 110 -5.728 2.537 -15.878 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.886 3.445 -15.069 1.00 0.00 C ATOM 1654 C PRO A 110 -5.386 3.474 -13.606 1.00 0.00 C ATOM 1655 O PRO A 110 -6.343 4.182 -13.281 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.019 4.833 -15.775 1.00 0.00 C ATOM 1657 CG PRO A 110 -5.701 4.543 -17.085 1.00 0.00 C ATOM 1658 CD PRO A 110 -6.553 3.314 -16.840 1.00 0.00 C ATOM 0 HA PRO A 110 -3.843 3.133 -15.013 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.603 5.528 -15.172 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.042 5.291 -15.932 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.313 5.387 -17.403 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.972 4.363 -17.875 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.527 3.572 -16.424 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.736 2.758 -17.759 1.00 0.00 H new ATOM 1666 N ASP A 111 -4.757 2.643 -12.763 1.00 0.00 N ATOM 1667 CA ASP A 111 -5.173 2.414 -11.365 1.00 0.00 C ATOM 1668 C ASP A 111 -4.896 3.657 -10.497 1.00 0.00 C ATOM 1669 O ASP A 111 -5.683 4.005 -9.605 1.00 0.00 O ATOM 1670 CB ASP A 111 -4.436 1.160 -10.819 1.00 0.00 C ATOM 1671 CG ASP A 111 -5.002 0.647 -9.481 1.00 0.00 C ATOM 1672 OD1 ASP A 111 -6.166 0.193 -9.463 1.00 0.00 O ATOM 1673 OD2 ASP A 111 -4.294 0.676 -8.462 1.00 0.00 O ATOM 0 H ASP A 111 -3.935 2.103 -13.032 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.248 2.237 -11.328 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.496 0.362 -11.559 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -3.380 1.397 -10.690 1.00 0.00 H new ATOM 1678 N TYR A 112 -3.770 4.321 -10.783 1.00 0.00 N ATOM 1679 CA TYR A 112 -3.378 5.594 -10.157 1.00 0.00 C ATOM 1680 C TYR A 112 -3.068 6.623 -11.254 1.00 0.00 C ATOM 1681 O TYR A 112 -2.988 6.284 -12.442 1.00 0.00 O ATOM 1682 CB TYR A 112 -2.129 5.408 -9.248 1.00 0.00 C ATOM 1683 CG TYR A 112 -2.283 4.345 -8.151 1.00 0.00 C ATOM 1684 CD1 TYR A 112 -3.108 4.565 -7.042 1.00 0.00 C ATOM 1685 CD2 TYR A 112 -1.596 3.130 -8.216 1.00 0.00 C ATOM 1686 CE1 TYR A 112 -3.244 3.610 -6.053 1.00 0.00 C ATOM 1687 CE2 TYR A 112 -1.730 2.178 -7.228 1.00 0.00 C ATOM 1688 CZ TYR A 112 -2.551 2.420 -6.152 1.00 0.00 C ATOM 1689 OH TYR A 112 -2.681 1.469 -5.168 1.00 0.00 O ATOM 0 H TYR A 112 -3.092 3.985 -11.467 1.00 0.00 H new ATOM 0 HA TYR A 112 -4.203 5.945 -9.537 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.278 5.142 -9.875 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.894 6.363 -8.778 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.647 5.497 -6.958 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -0.947 2.933 -9.057 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -3.889 3.793 -5.207 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -1.191 1.245 -7.299 1.00 0.00 H new ATOM 0 HH TYR A 112 -2.561 0.577 -5.557 1.00 0.00 H new ATOM 1699 N TRP A 113 -2.921 7.884 -10.837 1.00 0.00 N ATOM 1700 CA TRP A 113 -2.464 8.996 -11.688 1.00 0.00 C ATOM 1701 C TRP A 113 -1.400 9.797 -10.926 1.00 0.00 C ATOM 1702 O TRP A 113 -1.255 9.652 -9.700 1.00 0.00 O ATOM 1703 CB TRP A 113 -3.654 9.909 -12.112 1.00 0.00 C ATOM 1704 CG TRP A 113 -4.626 9.252 -13.077 1.00 0.00 C ATOM 1705 CD1 TRP A 113 -4.562 9.266 -14.445 1.00 0.00 C ATOM 1706 CD2 TRP A 113 -5.795 8.476 -12.745 1.00 0.00 C ATOM 1707 NE1 TRP A 113 -5.611 8.560 -14.975 1.00 0.00 N ATOM 1708 CE2 TRP A 113 -6.380 8.064 -13.956 1.00 0.00 C ATOM 1709 CE3 TRP A 113 -6.398 8.087 -11.541 1.00 0.00 C ATOM 1710 CZ2 TRP A 113 -7.538 7.291 -14.001 1.00 0.00 C ATOM 1711 CZ3 TRP A 113 -7.549 7.319 -11.586 1.00 0.00 C ATOM 1712 CH2 TRP A 113 -8.108 6.927 -12.811 1.00 0.00 C ATOM 0 H TRP A 113 -3.120 8.170 -9.878 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.030 8.593 -12.603 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -4.198 10.217 -11.219 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -3.258 10.814 -12.572 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -3.796 9.762 -15.023 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -5.790 8.426 -15.970 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -5.972 8.382 -10.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -7.971 6.989 -14.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -8.024 7.017 -10.664 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -9.006 6.326 -12.816 1.00 0.00 H new ATOM 1723 N GLY A 114 -0.659 10.628 -11.664 1.00 0.00 N ATOM 1724 CA GLY A 114 0.443 11.406 -11.106 1.00 0.00 C ATOM 1725 C GLY A 114 0.015 12.773 -10.598 1.00 0.00 C ATOM 1726 O GLY A 114 -1.181 13.090 -10.560 1.00 0.00 O ATOM 0 H GLY A 114 -0.808 10.778 -12.662 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.896 10.847 -10.287 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.212 11.533 -11.868 1.00 0.00 H new ATOM 1730 N GLN A 115 1.009 13.581 -10.212 1.00 0.00 N ATOM 1731 CA GLN A 115 0.806 14.960 -9.720 1.00 0.00 C ATOM 1732 C GLN A 115 0.485 15.901 -10.897 1.00 0.00 C ATOM 1733 O GLN A 115 -0.274 16.873 -10.747 1.00 0.00 O ATOM 1734 CB GLN A 115 2.091 15.441 -8.994 1.00 0.00 C ATOM 1735 CG GLN A 115 2.523 14.547 -7.804 1.00 0.00 C ATOM 1736 CD GLN A 115 3.855 14.950 -7.150 1.00 0.00 C ATOM 1737 OE1 GLN A 115 4.795 15.466 -7.931 1.00 0.00 O flip ATOM 1738 NE2 GLN A 115 4.050 14.762 -5.948 1.00 0.00 N flip ATOM 0 H GLN A 115 1.989 13.299 -10.230 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.032 14.974 -9.023 1.00 0.00 H new ATOM 0 HB2 GLN A 115 2.907 15.485 -9.715 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.931 16.456 -8.631 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.740 14.570 -7.046 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.601 13.516 -8.150 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.312 14.364 -5.368 1.00 0.00 H new ATOM 0 HE22 GLN A 115 4.950 15.005 -5.533 1.00 0.00 H new ATOM 1747 N GLY A 116 1.082 15.579 -12.061 1.00 0.00 N ATOM 1748 CA GLY A 116 0.979 16.392 -13.267 1.00 0.00 C ATOM 1749 C GLY A 116 2.036 17.491 -13.296 1.00 0.00 C ATOM 1750 O GLY A 116 2.126 18.290 -12.351 1.00 0.00 O ATOM 0 H GLY A 116 1.650 14.741 -12.181 1.00 0.00 H new ATOM 0 HA2 GLY A 116 1.090 15.756 -14.145 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -0.013 16.840 -13.321 1.00 0.00 H new ATOM 1754 N THR A 117 2.838 17.542 -14.374 1.00 0.00 N ATOM 1755 CA THR A 117 3.847 18.594 -14.562 1.00 0.00 C ATOM 1756 C THR A 117 3.281 19.687 -15.487 1.00 0.00 C ATOM 1757 O THR A 117 2.871 19.422 -16.630 1.00 0.00 O ATOM 1758 CB THR A 117 5.215 18.024 -15.091 1.00 0.00 C ATOM 1759 OG1 THR A 117 6.207 19.058 -15.128 1.00 0.00 O ATOM 1760 CG2 THR A 117 5.117 17.351 -16.476 1.00 0.00 C ATOM 0 H THR A 117 2.804 16.861 -15.132 1.00 0.00 H new ATOM 0 HA THR A 117 4.069 19.036 -13.591 1.00 0.00 H new ATOM 0 HB THR A 117 5.504 17.246 -14.385 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.053 18.688 -15.457 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.099 16.984 -16.772 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.417 16.517 -16.426 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.765 18.077 -17.209 1.00 0.00 H new ATOM 1768 N GLN A 118 3.185 20.905 -14.937 1.00 0.00 N ATOM 1769 CA GLN A 118 2.665 22.070 -15.652 1.00 0.00 C ATOM 1770 C GLN A 118 3.775 22.568 -16.593 1.00 0.00 C ATOM 1771 O GLN A 118 4.814 23.033 -16.122 1.00 0.00 O ATOM 1772 CB GLN A 118 2.234 23.193 -14.643 1.00 0.00 C ATOM 1773 CG GLN A 118 1.101 24.146 -15.120 1.00 0.00 C ATOM 1774 CD GLN A 118 1.371 24.883 -16.437 1.00 0.00 C ATOM 1775 OE1 GLN A 118 0.953 24.289 -17.544 1.00 0.00 O flip ATOM 1776 NE2 GLN A 118 1.960 25.965 -16.450 1.00 0.00 N flip ATOM 0 H GLN A 118 3.468 21.107 -13.978 1.00 0.00 H new ATOM 0 HA GLN A 118 1.778 21.802 -16.226 1.00 0.00 H new ATOM 0 HB2 GLN A 118 1.914 22.717 -13.716 1.00 0.00 H new ATOM 0 HB3 GLN A 118 3.111 23.795 -14.405 1.00 0.00 H new ATOM 0 HG2 GLN A 118 0.184 23.567 -15.229 1.00 0.00 H new ATOM 0 HG3 GLN A 118 0.920 24.886 -14.340 1.00 0.00 H new ATOM 0 HE21 GLN A 118 2.266 26.390 -15.575 1.00 0.00 H new ATOM 0 HE22 GLN A 118 2.142 26.436 -17.336 1.00 0.00 H new ATOM 1785 N VAL A 119 3.568 22.436 -17.911 1.00 0.00 N ATOM 1786 CA VAL A 119 4.502 22.949 -18.938 1.00 0.00 C ATOM 1787 C VAL A 119 3.823 24.111 -19.705 1.00 0.00 C ATOM 1788 O VAL A 119 2.609 24.092 -19.931 1.00 0.00 O ATOM 1789 CB VAL A 119 4.966 21.803 -19.930 1.00 0.00 C ATOM 1790 CG1 VAL A 119 5.655 20.640 -19.162 1.00 0.00 C ATOM 1791 CG2 VAL A 119 3.793 21.277 -20.795 1.00 0.00 C ATOM 0 H VAL A 119 2.749 21.971 -18.301 1.00 0.00 H new ATOM 0 HA VAL A 119 5.401 23.319 -18.444 1.00 0.00 H new ATOM 0 HB VAL A 119 5.698 22.243 -20.608 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.962 19.869 -19.869 1.00 0.00 H new ATOM 0 HG12 VAL A 119 6.531 21.020 -18.636 1.00 0.00 H new ATOM 0 HG13 VAL A 119 4.956 20.215 -18.442 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.155 20.493 -21.460 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.016 20.873 -20.147 1.00 0.00 H new ATOM 0 HG23 VAL A 119 3.382 22.095 -21.387 1.00 0.00 H new ATOM 1801 N THR A 120 4.594 25.144 -20.065 1.00 0.00 N ATOM 1802 CA THR A 120 4.087 26.296 -20.832 1.00 0.00 C ATOM 1803 C THR A 120 4.963 26.509 -22.070 1.00 0.00 C ATOM 1804 O THR A 120 6.089 26.973 -21.967 1.00 0.00 O ATOM 1805 CB THR A 120 4.058 27.584 -19.940 1.00 0.00 C ATOM 1806 OG1 THR A 120 3.209 27.357 -18.800 1.00 0.00 O ATOM 1807 CG2 THR A 120 3.563 28.825 -20.715 1.00 0.00 C ATOM 0 H THR A 120 5.586 25.208 -19.835 1.00 0.00 H new ATOM 0 HA THR A 120 3.065 26.092 -21.152 1.00 0.00 H new ATOM 0 HB THR A 120 5.080 27.786 -19.620 1.00 0.00 H new ATOM 0 HG1 THR A 120 3.191 28.161 -18.240 1.00 0.00 H new ATOM 0 HG21 THR A 120 3.561 29.691 -20.053 1.00 0.00 H new ATOM 0 HG22 THR A 120 4.226 29.015 -21.559 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.552 28.646 -21.081 1.00 0.00 H new ATOM 1815 N VAL A 121 4.465 26.126 -23.241 1.00 0.00 N ATOM 1816 CA VAL A 121 5.192 26.322 -24.501 1.00 0.00 C ATOM 1817 C VAL A 121 4.758 27.650 -25.145 1.00 0.00 C ATOM 1818 O VAL A 121 3.675 27.739 -25.746 1.00 0.00 O ATOM 1819 CB VAL A 121 4.991 25.101 -25.472 1.00 0.00 C ATOM 1820 CG1 VAL A 121 5.730 25.309 -26.825 1.00 0.00 C ATOM 1821 CG2 VAL A 121 5.453 23.793 -24.776 1.00 0.00 C ATOM 0 H VAL A 121 3.556 25.675 -23.349 1.00 0.00 H new ATOM 0 HA VAL A 121 6.260 26.377 -24.291 1.00 0.00 H new ATOM 0 HB VAL A 121 3.929 25.022 -25.703 1.00 0.00 H new ATOM 0 HG11 VAL A 121 5.566 24.443 -27.466 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.345 26.203 -27.316 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.798 25.427 -26.642 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.311 22.951 -25.453 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.508 23.874 -24.513 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.865 23.634 -23.872 1.00 0.00 H new ATOM 1831 N SER A 122 5.586 28.707 -24.951 1.00 0.00 N ATOM 1832 CA SER A 122 5.392 29.999 -25.626 1.00 0.00 C ATOM 1833 C SER A 122 5.634 29.875 -27.144 1.00 0.00 C ATOM 1834 O SER A 122 6.416 29.037 -27.587 1.00 0.00 O ATOM 1835 CB SER A 122 6.320 31.061 -25.010 1.00 0.00 C ATOM 1836 OG SER A 122 5.937 31.338 -23.673 1.00 0.00 O ATOM 0 H SER A 122 6.394 28.682 -24.329 1.00 0.00 H new ATOM 0 HA SER A 122 4.358 30.311 -25.481 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.351 30.709 -25.034 1.00 0.00 H new ATOM 0 HB3 SER A 122 6.281 31.975 -25.603 1.00 0.00 H new ATOM 0 HG SER A 122 6.163 32.266 -23.453 1.00 0.00 H new ATOM 1842 N SER A 123 4.946 30.712 -27.930 1.00 0.00 N ATOM 1843 CA SER A 123 5.037 30.696 -29.397 1.00 0.00 C ATOM 1844 C SER A 123 6.324 31.409 -29.861 1.00 0.00 C ATOM 1845 O SER A 123 6.327 32.630 -30.059 1.00 0.00 O ATOM 1846 CB SER A 123 3.765 31.346 -29.997 1.00 0.00 C ATOM 1847 OG SER A 123 3.511 32.622 -29.420 1.00 0.00 O ATOM 0 H SER A 123 4.309 31.421 -27.567 1.00 0.00 H new ATOM 0 HA SER A 123 5.093 29.668 -29.754 1.00 0.00 H new ATOM 0 HB2 SER A 123 3.882 31.450 -31.076 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.908 30.693 -29.831 1.00 0.00 H new ATOM 0 HG SER A 123 4.342 33.141 -29.396 1.00 0.00 H new ATOM 1853 N LEU A 124 7.443 30.633 -29.905 1.00 0.00 N ATOM 1854 CA LEU A 124 8.798 31.095 -30.346 1.00 0.00 C ATOM 1855 C LEU A 124 9.474 32.092 -29.364 1.00 0.00 C ATOM 1856 O LEU A 124 10.700 32.247 -29.402 1.00 0.00 O ATOM 1857 CB LEU A 124 8.786 31.682 -31.809 1.00 0.00 C ATOM 1858 CG LEU A 124 8.855 30.654 -32.989 1.00 0.00 C ATOM 1859 CD1 LEU A 124 10.187 29.873 -32.974 1.00 0.00 C ATOM 1860 CD2 LEU A 124 7.638 29.705 -33.006 1.00 0.00 C ATOM 0 H LEU A 124 7.432 29.651 -29.631 1.00 0.00 H new ATOM 0 HA LEU A 124 9.409 30.192 -30.344 1.00 0.00 H new ATOM 0 HB2 LEU A 124 7.879 32.275 -31.929 1.00 0.00 H new ATOM 0 HB3 LEU A 124 9.629 32.366 -31.906 1.00 0.00 H new ATOM 0 HG LEU A 124 8.818 31.226 -33.916 1.00 0.00 H new ATOM 0 HD11 LEU A 124 10.205 29.168 -33.805 1.00 0.00 H new ATOM 0 HD12 LEU A 124 11.019 30.570 -33.072 1.00 0.00 H new ATOM 0 HD13 LEU A 124 10.279 29.329 -32.034 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.730 29.011 -33.841 1.00 0.00 H new ATOM 0 HD22 LEU A 124 7.600 29.146 -32.071 1.00 0.00 H new ATOM 0 HD23 LEU A 124 6.724 30.288 -33.118 1.00 0.00 H new ATOM 1872 N GLU A 125 8.694 32.736 -28.480 1.00 0.00 N ATOM 1873 CA GLU A 125 9.176 33.841 -27.641 1.00 0.00 C ATOM 1874 C GLU A 125 9.938 33.306 -26.412 1.00 0.00 C ATOM 1875 O GLU A 125 9.423 32.456 -25.678 1.00 0.00 O ATOM 1876 CB GLU A 125 7.979 34.732 -27.205 1.00 0.00 C ATOM 1877 CG GLU A 125 8.383 36.063 -26.539 1.00 0.00 C ATOM 1878 CD GLU A 125 7.183 36.947 -26.155 1.00 0.00 C ATOM 1879 OE1 GLU A 125 6.995 37.238 -24.954 1.00 0.00 O ATOM 1880 OE2 GLU A 125 6.424 37.357 -27.055 1.00 0.00 O ATOM 0 H GLU A 125 7.712 32.504 -28.328 1.00 0.00 H new ATOM 0 HA GLU A 125 9.871 34.446 -28.223 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.366 34.949 -28.080 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.356 34.168 -26.511 1.00 0.00 H new ATOM 0 HG2 GLU A 125 8.968 35.850 -25.644 1.00 0.00 H new ATOM 0 HG3 GLU A 125 9.030 36.618 -27.218 1.00 0.00 H new ATOM 1887 N HIS A 126 11.170 33.812 -26.213 1.00 0.00 N ATOM 1888 CA HIS A 126 12.047 33.441 -25.088 1.00 0.00 C ATOM 1889 C HIS A 126 11.919 34.483 -23.967 1.00 0.00 C ATOM 1890 O HIS A 126 12.637 35.492 -23.960 1.00 0.00 O ATOM 1891 CB HIS A 126 13.520 33.345 -25.569 1.00 0.00 C ATOM 1892 CG HIS A 126 13.770 32.266 -26.588 1.00 0.00 C ATOM 1893 ND1 HIS A 126 13.735 32.484 -27.949 1.00 0.00 N ATOM 1894 CD2 HIS A 126 14.073 30.959 -26.431 1.00 0.00 C ATOM 1895 CE1 HIS A 126 13.999 31.359 -28.579 1.00 0.00 C ATOM 1896 NE2 HIS A 126 14.211 30.423 -27.683 1.00 0.00 N ATOM 0 H HIS A 126 11.589 34.500 -26.839 1.00 0.00 H new ATOM 0 HA HIS A 126 11.744 32.467 -24.703 1.00 0.00 H new ATOM 0 HB2 HIS A 126 13.814 34.305 -25.994 1.00 0.00 H new ATOM 0 HB3 HIS A 126 14.161 33.168 -24.705 1.00 0.00 H new ATOM 0 HD1 HIS A 126 13.536 33.378 -28.398 1.00 0.00 H new ATOM 0 HD2 HIS A 126 14.185 30.435 -25.493 1.00 0.00 H new ATOM 0 HE1 HIS A 126 14.035 31.228 -29.650 1.00 0.00 H new ATOM 1905 N HIS A 127 10.959 34.261 -23.052 1.00 0.00 N ATOM 1906 CA HIS A 127 10.759 35.109 -21.858 1.00 0.00 C ATOM 1907 C HIS A 127 10.305 34.246 -20.670 1.00 0.00 C ATOM 1908 O HIS A 127 9.337 33.486 -20.772 1.00 0.00 O ATOM 1909 CB HIS A 127 9.747 36.272 -22.131 1.00 0.00 C ATOM 1910 CG HIS A 127 10.338 37.434 -22.894 1.00 0.00 C ATOM 1911 ND1 HIS A 127 9.832 37.891 -24.085 1.00 0.00 N ATOM 1912 CD2 HIS A 127 11.416 38.214 -22.629 1.00 0.00 C ATOM 1913 CE1 HIS A 127 10.567 38.889 -24.529 1.00 0.00 C ATOM 1914 NE2 HIS A 127 11.535 39.108 -23.660 1.00 0.00 N ATOM 0 H HIS A 127 10.297 33.487 -23.118 1.00 0.00 H new ATOM 0 HA HIS A 127 11.714 35.573 -21.610 1.00 0.00 H new ATOM 0 HB2 HIS A 127 8.898 35.878 -22.690 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.361 36.635 -21.179 1.00 0.00 H new ATOM 0 HD2 HIS A 127 12.061 38.143 -21.765 1.00 0.00 H new ATOM 0 HE1 HIS A 127 10.405 39.435 -25.447 1.00 0.00 H new ATOM 0 HE2 HIS A 127 12.255 39.826 -23.742 1.00 0.00 H new ATOM 1923 N HIS A 128 11.037 34.376 -19.551 1.00 0.00 N ATOM 1924 CA HIS A 128 10.771 33.649 -18.305 1.00 0.00 C ATOM 1925 C HIS A 128 9.587 34.305 -17.569 1.00 0.00 C ATOM 1926 O HIS A 128 9.714 35.432 -17.071 1.00 0.00 O ATOM 1927 CB HIS A 128 12.039 33.642 -17.405 1.00 0.00 C ATOM 1928 CG HIS A 128 13.266 33.086 -18.078 1.00 0.00 C ATOM 1929 ND1 HIS A 128 14.278 33.877 -18.571 1.00 0.00 N ATOM 1930 CD2 HIS A 128 13.634 31.812 -18.335 1.00 0.00 C ATOM 1931 CE1 HIS A 128 15.209 33.120 -19.107 1.00 0.00 C ATOM 1932 NE2 HIS A 128 14.846 31.862 -18.975 1.00 0.00 N ATOM 0 H HIS A 128 11.842 35.000 -19.489 1.00 0.00 H new ATOM 0 HA HIS A 128 10.514 32.616 -18.538 1.00 0.00 H new ATOM 0 HB2 HIS A 128 12.246 34.661 -17.080 1.00 0.00 H new ATOM 0 HB3 HIS A 128 11.832 33.057 -16.509 1.00 0.00 H new ATOM 0 HD2 HIS A 128 13.078 30.921 -18.084 1.00 0.00 H new ATOM 0 HE1 HIS A 128 16.117 33.470 -19.576 1.00 0.00 H new ATOM 0 HE2 HIS A 128 15.380 31.055 -19.297 1.00 0.00 H new ATOM 1941 N HIS A 129 8.438 33.595 -17.544 1.00 0.00 N ATOM 1942 CA HIS A 129 7.171 34.073 -16.932 1.00 0.00 C ATOM 1943 C HIS A 129 7.391 34.526 -15.459 1.00 0.00 C ATOM 1944 O HIS A 129 7.871 33.749 -14.622 1.00 0.00 O ATOM 1945 CB HIS A 129 6.077 32.957 -17.014 1.00 0.00 C ATOM 1946 CG HIS A 129 6.360 31.742 -16.158 1.00 0.00 C ATOM 1947 ND1 HIS A 129 5.618 31.418 -15.036 1.00 0.00 N ATOM 1948 CD2 HIS A 129 7.345 30.817 -16.227 1.00 0.00 C ATOM 1949 CE1 HIS A 129 6.141 30.356 -14.452 1.00 0.00 C ATOM 1950 NE2 HIS A 129 7.187 29.972 -15.155 1.00 0.00 N ATOM 0 H HIS A 129 8.359 32.663 -17.952 1.00 0.00 H new ATOM 0 HA HIS A 129 6.827 34.941 -17.494 1.00 0.00 H new ATOM 0 HB2 HIS A 129 5.119 33.382 -16.715 1.00 0.00 H new ATOM 0 HB3 HIS A 129 5.976 32.640 -18.052 1.00 0.00 H new ATOM 0 HD2 HIS A 129 8.113 30.754 -16.984 1.00 0.00 H new ATOM 0 HE1 HIS A 129 5.775 29.883 -13.553 1.00 0.00 H new ATOM 0 HE2 HIS A 129 7.785 29.174 -14.938 1.00 0.00 H new ATOM 1959 N HIS A 130 7.078 35.795 -15.162 1.00 0.00 N ATOM 1960 CA HIS A 130 7.281 36.367 -13.820 1.00 0.00 C ATOM 1961 C HIS A 130 6.103 35.970 -12.918 1.00 0.00 C ATOM 1962 O HIS A 130 4.998 36.515 -13.048 1.00 0.00 O ATOM 1963 CB HIS A 130 7.436 37.907 -13.890 1.00 0.00 C ATOM 1964 CG HIS A 130 8.577 38.372 -14.756 1.00 0.00 C ATOM 1965 ND1 HIS A 130 8.400 39.133 -15.889 1.00 0.00 N ATOM 1966 CD2 HIS A 130 9.913 38.198 -14.634 1.00 0.00 C ATOM 1967 CE1 HIS A 130 9.571 39.409 -16.424 1.00 0.00 C ATOM 1968 NE2 HIS A 130 10.507 38.855 -15.681 1.00 0.00 N ATOM 0 H HIS A 130 6.681 36.449 -15.836 1.00 0.00 H new ATOM 0 HA HIS A 130 8.203 35.969 -13.397 1.00 0.00 H new ATOM 0 HB2 HIS A 130 6.509 38.338 -14.267 1.00 0.00 H new ATOM 0 HB3 HIS A 130 7.579 38.293 -12.881 1.00 0.00 H new ATOM 0 HD2 HIS A 130 10.418 37.644 -13.856 1.00 0.00 H new ATOM 0 HE1 HIS A 130 9.736 39.990 -17.319 1.00 0.00 H new ATOM 0 HE2 HIS A 130 11.511 38.906 -15.856 1.00 0.00 H new ATOM 1977 N HIS A 131 6.349 34.972 -12.051 1.00 0.00 N ATOM 1978 CA HIS A 131 5.370 34.482 -11.067 1.00 0.00 C ATOM 1979 C HIS A 131 5.006 35.618 -10.070 1.00 0.00 C ATOM 1980 O HIS A 131 5.885 36.026 -9.274 1.00 0.00 O ATOM 1981 CB HIS A 131 5.936 33.234 -10.322 1.00 0.00 C ATOM 1982 CG HIS A 131 5.011 32.665 -9.266 1.00 0.00 C ATOM 1983 ND1 HIS A 131 4.933 33.167 -7.981 1.00 0.00 N ATOM 1984 CD2 HIS A 131 4.122 31.639 -9.313 1.00 0.00 C ATOM 1985 CE1 HIS A 131 4.042 32.480 -7.291 1.00 0.00 C ATOM 1986 NE2 HIS A 131 3.540 31.551 -8.073 1.00 0.00 N ATOM 1987 OXT HIS A 131 3.859 36.103 -10.099 1.00 0.00 O ATOM 0 H HIS A 131 7.241 34.479 -12.014 1.00 0.00 H new ATOM 0 HA HIS A 131 4.459 34.180 -11.584 1.00 0.00 H new ATOM 0 HB2 HIS A 131 6.154 32.457 -11.054 1.00 0.00 H new ATOM 0 HB3 HIS A 131 6.882 33.504 -9.852 1.00 0.00 H new ATOM 0 HD2 HIS A 131 3.912 31.010 -10.166 1.00 0.00 H new ATOM 0 HE1 HIS A 131 3.772 32.652 -6.260 1.00 0.00 H new ATOM 0 HE2 HIS A 131 2.830 30.871 -7.801 1.00 0.00 H new TER 1996 HIS A 131