USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 649 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 94 GLN : amide:sc= -0.54 K(o=-2,f=-6.5!) USER MOD Set 1.2: A 95 ASN : amide:sc= -1.49 K(o=-2,f=-4.4!) USER MOD Set 2.1: A 1 MET N :NH3+ 163:sc= 2.2 (180deg=-0.0528) USER MOD Set 2.2: A 91 ASN : amide:sc= 1.07! C(o=3.3!,f=-8.2!) USER MOD Set 3.1: A 59 SER OG : rot -99:sc= 1.27 USER MOD Set 3.2: A 73 CYS SG : rot 180:sc= -0.672 USER MOD Set 4.1: A 52 MET CE :methyl -166:sc= -3.46! (180deg=-3.53!) USER MOD Set 4.2: A 53 GLN : amide:sc= -1.47 K(o=-4.9,f=-9.5!) USER MOD Set 5.1: A 14 ASN : amide:sc= 1.19 K(o=3.4,f=0.87) USER MOD Set 5.2: A 18 THR OG1 : rot -61:sc= 2.21 USER MOD Set 6.1: A 7 SER OG : rot 14:sc= 0.97 USER MOD Set 6.2: A 23 CYS SG : rot -27:sc= -3.7! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -2.06! USER MOD Single : A 3 TYR OH : rot 38:sc= 0.315 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.542 K(o=0.54,f=-0.031) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.14! USER MOD Single : A 25 ASN : amide:sc= -2.17! C(o=-2.2!,f=-12!) USER MOD Single : A 29 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.8!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 157:sc= 1.26 USER MOD Single : A 39 THR OG1 : rot -37:sc= 0.413 USER MOD Single : A 40 CYS SG : rot -175:sc= -1.39! USER MOD Single : A 43 ASN : amide:sc= -14.2! C(o=-14!,f=-14!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -94:sc= -1.15! USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 98:sc= 1.01 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -122:sc= -0.526! (180deg=-3.54!) USER MOD Single : A 72 THR OG1 : rot 12:sc= 0.955 USER MOD Single : A 76 LYS NZ :NH3+ 157:sc= 1.19 (180deg=0.636) USER MOD Single : A 77 THR OG1 : rot -137:sc= 0.81 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.162 F(o=-3.3!,f=-0.16) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.171 F(o=-1.9!,f=-0.17) USER MOD Single : A 103 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.906 14.208 -0.023 1.00 0.00 N ATOM 2 CA MET A 1 0.501 14.010 -0.439 1.00 0.00 C ATOM 3 C MET A 1 1.002 12.660 0.042 1.00 0.00 C ATOM 4 O MET A 1 0.703 12.245 1.160 1.00 0.00 O ATOM 5 CB MET A 1 1.408 15.108 0.134 1.00 0.00 C ATOM 6 CG MET A 1 1.005 16.523 -0.245 1.00 0.00 C ATOM 7 SD MET A 1 -0.474 17.085 0.619 1.00 0.00 S ATOM 8 CE MET A 1 -0.591 18.763 0.011 1.00 0.00 C ATOM 0 H1 MET A 1 -1.150 15.216 -0.094 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.532 13.656 -0.643 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.025 13.891 0.960 1.00 0.00 H new ATOM 0 HA MET A 1 0.534 14.055 -1.528 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.415 15.025 1.221 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.429 14.932 -0.205 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.829 17.202 -0.024 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.832 16.571 -1.320 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.460 19.251 0.453 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.311 19.312 0.282 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.695 18.750 -1.074 1.00 0.00 H new ATOM 16 N SER A 2 1.764 11.978 -0.793 1.00 0.00 N ATOM 17 CA SER A 2 2.307 10.686 -0.428 1.00 0.00 C ATOM 18 C SER A 2 3.827 10.736 -0.382 1.00 0.00 C ATOM 19 O SER A 2 4.437 11.707 -0.838 1.00 0.00 O ATOM 20 CB SER A 2 1.865 9.609 -1.416 1.00 0.00 C ATOM 21 OG SER A 2 0.461 9.600 -1.571 1.00 0.00 O ATOM 0 H SER A 2 2.020 12.298 -1.727 1.00 0.00 H new ATOM 0 HA SER A 2 1.926 10.436 0.562 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.339 9.782 -2.382 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.201 8.632 -1.067 1.00 0.00 H new ATOM 0 HG SER A 2 0.207 8.902 -2.210 1.00 0.00 H new ATOM 26 N TYR A 3 4.425 9.686 0.154 1.00 0.00 N ATOM 27 CA TYR A 3 5.874 9.576 0.259 1.00 0.00 C ATOM 28 C TYR A 3 6.536 9.698 -1.107 1.00 0.00 C ATOM 29 O TYR A 3 7.650 10.205 -1.222 1.00 0.00 O ATOM 30 CB TYR A 3 6.248 8.234 0.891 1.00 0.00 C ATOM 31 CG TYR A 3 5.795 7.028 0.088 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.467 6.625 0.092 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.698 6.295 -0.675 1.00 0.00 C ATOM 34 CE1 TYR A 3 4.049 5.534 -0.638 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.285 5.200 -1.409 1.00 0.00 C ATOM 36 CZ TYR A 3 4.960 4.824 -1.385 1.00 0.00 C ATOM 37 OH TYR A 3 4.543 3.736 -2.112 1.00 0.00 O ATOM 0 H TYR A 3 3.921 8.883 0.530 1.00 0.00 H new ATOM 0 HA TYR A 3 6.231 10.392 0.888 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.330 8.191 1.014 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.811 8.179 1.888 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.748 7.177 0.679 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.738 6.586 -0.694 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.011 5.237 -0.624 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.997 4.642 -1.999 1.00 0.00 H new ATOM 0 HH TYR A 3 3.659 3.918 -2.495 1.00 0.00 H new ATOM 46 N ALA A 4 5.817 9.253 -2.140 1.00 0.00 N ATOM 47 CA ALA A 4 6.301 9.280 -3.519 1.00 0.00 C ATOM 48 C ALA A 4 6.764 10.671 -3.944 1.00 0.00 C ATOM 49 O ALA A 4 7.501 10.812 -4.920 1.00 0.00 O ATOM 50 CB ALA A 4 5.219 8.773 -4.459 1.00 0.00 C ATOM 0 H ALA A 4 4.880 8.863 -2.042 1.00 0.00 H new ATOM 0 HA ALA A 4 7.169 8.623 -3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.588 8.796 -5.484 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.955 7.750 -4.192 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.338 9.409 -4.376 1.00 0.00 H new ATOM 56 N ASP A 5 6.332 11.698 -3.220 1.00 0.00 N ATOM 57 CA ASP A 5 6.732 13.065 -3.529 1.00 0.00 C ATOM 58 C ASP A 5 8.248 13.204 -3.412 1.00 0.00 C ATOM 59 O ASP A 5 8.886 13.916 -4.186 1.00 0.00 O ATOM 60 CB ASP A 5 6.048 14.060 -2.591 1.00 0.00 C ATOM 61 CG ASP A 5 6.437 15.494 -2.898 1.00 0.00 C ATOM 62 OD1 ASP A 5 5.827 16.093 -3.808 1.00 0.00 O ATOM 63 OD2 ASP A 5 7.356 16.021 -2.238 1.00 0.00 O ATOM 0 H ASP A 5 5.707 11.610 -2.418 1.00 0.00 H new ATOM 0 HA ASP A 5 6.425 13.287 -4.551 1.00 0.00 H new ATOM 0 HB2 ASP A 5 4.967 13.952 -2.675 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.312 13.826 -1.560 1.00 0.00 H new ATOM 67 N SER A 6 8.816 12.500 -2.441 1.00 0.00 N ATOM 68 CA SER A 6 10.248 12.522 -2.207 1.00 0.00 C ATOM 69 C SER A 6 10.763 11.095 -2.010 1.00 0.00 C ATOM 70 O SER A 6 11.651 10.842 -1.192 1.00 0.00 O ATOM 71 CB SER A 6 10.570 13.387 -0.986 1.00 0.00 C ATOM 72 OG SER A 6 10.034 14.693 -1.132 1.00 0.00 O ATOM 0 H SER A 6 8.297 11.902 -1.798 1.00 0.00 H new ATOM 0 HA SER A 6 10.746 12.956 -3.074 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.163 12.921 -0.088 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.650 13.446 -0.853 1.00 0.00 H new ATOM 0 HG SER A 6 10.251 15.226 -0.339 1.00 0.00 H new ATOM 77 N SER A 7 10.181 10.164 -2.754 1.00 0.00 N ATOM 78 CA SER A 7 10.565 8.762 -2.676 1.00 0.00 C ATOM 79 C SER A 7 10.368 8.107 -4.037 1.00 0.00 C ATOM 80 O SER A 7 9.447 8.461 -4.772 1.00 0.00 O ATOM 81 CB SER A 7 9.741 8.044 -1.603 1.00 0.00 C ATOM 82 OG SER A 7 10.202 6.724 -1.384 1.00 0.00 O ATOM 0 H SER A 7 9.436 10.357 -3.423 1.00 0.00 H new ATOM 0 HA SER A 7 11.616 8.689 -2.398 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.790 8.606 -0.670 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.694 8.018 -1.905 1.00 0.00 H new ATOM 0 HG SER A 7 11.080 6.610 -1.803 1.00 0.00 H new ATOM 87 N ARG A 8 11.234 7.162 -4.371 1.00 0.00 N ATOM 88 CA ARG A 8 11.159 6.482 -5.659 1.00 0.00 C ATOM 89 C ARG A 8 11.367 4.977 -5.514 1.00 0.00 C ATOM 90 O ARG A 8 11.796 4.501 -4.462 1.00 0.00 O ATOM 91 CB ARG A 8 12.201 7.056 -6.624 1.00 0.00 C ATOM 92 CG ARG A 8 13.614 7.045 -6.066 1.00 0.00 C ATOM 93 CD ARG A 8 14.635 7.476 -7.105 1.00 0.00 C ATOM 94 NE ARG A 8 14.342 8.801 -7.655 1.00 0.00 N ATOM 95 CZ ARG A 8 15.258 9.604 -8.195 1.00 0.00 C ATOM 96 NH1 ARG A 8 16.536 9.247 -8.210 1.00 0.00 N ATOM 97 NH2 ARG A 8 14.889 10.772 -8.700 1.00 0.00 N ATOM 0 H ARG A 8 11.996 6.848 -3.770 1.00 0.00 H new ATOM 0 HA ARG A 8 10.159 6.649 -6.060 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.180 6.483 -7.551 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.926 8.080 -6.876 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.670 7.710 -5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.857 6.043 -5.712 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.628 7.483 -6.655 1.00 0.00 H new ATOM 0 HD3 ARG A 8 14.657 6.746 -7.914 1.00 0.00 H new ATOM 0 HE ARG A 8 13.377 9.130 -7.623 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.821 8.354 -7.807 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.233 9.865 -8.625 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.909 11.052 -8.674 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.585 11.391 -9.115 1.00 0.00 H new ATOM 108 N ASN A 9 11.067 4.253 -6.593 1.00 0.00 N ATOM 109 CA ASN A 9 11.203 2.797 -6.647 1.00 0.00 C ATOM 110 C ASN A 9 10.416 2.122 -5.529 1.00 0.00 C ATOM 111 O ASN A 9 10.993 1.492 -4.642 1.00 0.00 O ATOM 112 CB ASN A 9 12.675 2.357 -6.600 1.00 0.00 C ATOM 113 CG ASN A 9 13.460 2.794 -7.822 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.372 2.176 -8.883 1.00 0.00 O ATOM 115 ND2 ASN A 9 14.274 3.829 -7.673 1.00 0.00 N ATOM 0 H ASN A 9 10.720 4.663 -7.460 1.00 0.00 H new ATOM 0 HA ASN A 9 10.787 2.479 -7.603 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.144 2.769 -5.706 1.00 0.00 H new ATOM 0 HB3 ASN A 9 12.722 1.271 -6.513 1.00 0.00 H new ATOM 0 HD21 ASN A 9 14.854 4.138 -8.453 1.00 0.00 H new ATOM 0 HD22 ASN A 9 14.320 4.317 -6.778 1.00 0.00 H new ATOM 121 N ALA A 10 9.098 2.255 -5.584 1.00 0.00 N ATOM 122 CA ALA A 10 8.228 1.655 -4.586 1.00 0.00 C ATOM 123 C ALA A 10 7.769 0.273 -5.034 1.00 0.00 C ATOM 124 O ALA A 10 7.142 0.121 -6.085 1.00 0.00 O ATOM 125 CB ALA A 10 7.031 2.553 -4.310 1.00 0.00 C ATOM 0 H ALA A 10 8.608 2.775 -6.312 1.00 0.00 H new ATOM 0 HA ALA A 10 8.794 1.544 -3.661 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.392 2.087 -3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.378 3.518 -3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.465 2.698 -5.230 1.00 0.00 H new ATOM 131 N VAL A 11 8.101 -0.731 -4.240 1.00 0.00 N ATOM 132 CA VAL A 11 7.737 -2.107 -4.541 1.00 0.00 C ATOM 133 C VAL A 11 6.879 -2.683 -3.424 1.00 0.00 C ATOM 134 O VAL A 11 6.764 -2.090 -2.349 1.00 0.00 O ATOM 135 CB VAL A 11 8.988 -2.994 -4.737 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.860 -2.449 -5.858 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.788 -3.114 -3.446 1.00 0.00 C ATOM 0 H VAL A 11 8.627 -0.618 -3.374 1.00 0.00 H new ATOM 0 HA VAL A 11 7.170 -2.100 -5.472 1.00 0.00 H new ATOM 0 HB VAL A 11 8.650 -3.992 -5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.735 -3.087 -5.981 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.290 -2.432 -6.787 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.180 -1.437 -5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.661 -3.744 -3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.112 -2.124 -3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.164 -3.560 -2.672 1.00 0.00 H new ATOM 147 N LEU A 12 6.294 -3.849 -3.673 1.00 0.00 N ATOM 148 CA LEU A 12 5.442 -4.501 -2.690 1.00 0.00 C ATOM 149 C LEU A 12 6.172 -5.665 -2.054 1.00 0.00 C ATOM 150 O LEU A 12 6.536 -6.627 -2.730 1.00 0.00 O ATOM 151 CB LEU A 12 4.142 -5.019 -3.327 1.00 0.00 C ATOM 152 CG LEU A 12 3.152 -3.958 -3.820 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.927 -2.902 -2.752 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.625 -3.327 -5.121 1.00 0.00 C ATOM 0 H LEU A 12 6.395 -4.362 -4.549 1.00 0.00 H new ATOM 0 HA LEU A 12 5.191 -3.758 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.406 -5.657 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.632 -5.649 -2.598 1.00 0.00 H new ATOM 0 HG LEU A 12 2.200 -4.450 -4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.221 -2.157 -3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.524 -3.372 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.874 -2.418 -2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.902 -2.578 -5.446 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.594 -2.852 -4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.718 -4.098 -5.886 1.00 0.00 H new ATOM 165 N THR A 13 6.394 -5.571 -0.759 1.00 0.00 N ATOM 166 CA THR A 13 7.072 -6.622 -0.033 1.00 0.00 C ATOM 167 C THR A 13 6.097 -7.347 0.890 1.00 0.00 C ATOM 168 O THR A 13 5.000 -6.840 1.173 1.00 0.00 O ATOM 169 CB THR A 13 8.268 -6.066 0.768 1.00 0.00 C ATOM 170 OG1 THR A 13 7.873 -4.902 1.504 1.00 0.00 O ATOM 171 CG2 THR A 13 9.419 -5.716 -0.165 1.00 0.00 C ATOM 0 H THR A 13 6.113 -4.774 -0.187 1.00 0.00 H new ATOM 0 HA THR A 13 7.460 -7.336 -0.759 1.00 0.00 H new ATOM 0 HB THR A 13 8.600 -6.835 1.465 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.639 -4.559 2.010 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.254 -5.325 0.417 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.738 -6.610 -0.701 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.091 -4.962 -0.880 1.00 0.00 H new ATOM 179 N ASN A 14 6.487 -8.545 1.323 1.00 0.00 N ATOM 180 CA ASN A 14 5.664 -9.367 2.210 1.00 0.00 C ATOM 181 C ASN A 14 4.344 -9.741 1.539 1.00 0.00 C ATOM 182 O ASN A 14 3.283 -9.713 2.161 1.00 0.00 O ATOM 183 CB ASN A 14 5.409 -8.638 3.536 1.00 0.00 C ATOM 184 CG ASN A 14 6.643 -8.586 4.418 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.449 -9.518 4.440 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.815 -7.486 5.133 1.00 0.00 N ATOM 0 H ASN A 14 7.378 -8.972 1.070 1.00 0.00 H new ATOM 0 HA ASN A 14 6.208 -10.288 2.421 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.071 -7.622 3.329 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.603 -9.139 4.073 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.637 -7.388 5.729 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.125 -6.736 5.088 1.00 0.00 H new ATOM 192 N GLY A 15 4.418 -10.070 0.254 1.00 0.00 N ATOM 193 CA GLY A 15 3.232 -10.452 -0.490 1.00 0.00 C ATOM 194 C GLY A 15 2.564 -9.269 -1.162 1.00 0.00 C ATOM 195 O GLY A 15 2.197 -9.336 -2.334 1.00 0.00 O ATOM 0 H GLY A 15 5.282 -10.079 -0.288 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.502 -11.190 -1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.522 -10.931 0.184 1.00 0.00 H new ATOM 199 N GLY A 16 2.421 -8.183 -0.419 1.00 0.00 N ATOM 200 CA GLY A 16 1.787 -6.993 -0.948 1.00 0.00 C ATOM 201 C GLY A 16 1.084 -6.213 0.136 1.00 0.00 C ATOM 202 O GLY A 16 -0.101 -5.901 0.027 1.00 0.00 O ATOM 0 H GLY A 16 2.735 -8.104 0.548 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.537 -6.361 -1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.070 -7.274 -1.719 1.00 0.00 H new ATOM 206 N ARG A 17 1.819 -5.922 1.193 1.00 0.00 N ATOM 207 CA ARG A 17 1.290 -5.179 2.327 1.00 0.00 C ATOM 208 C ARG A 17 2.273 -4.114 2.780 1.00 0.00 C ATOM 209 O ARG A 17 1.882 -3.047 3.256 1.00 0.00 O ATOM 210 CB ARG A 17 1.002 -6.127 3.487 1.00 0.00 C ATOM 211 CG ARG A 17 2.045 -7.216 3.651 1.00 0.00 C ATOM 212 CD ARG A 17 1.901 -7.946 4.971 1.00 0.00 C ATOM 213 NE ARG A 17 2.656 -7.293 6.039 1.00 0.00 N ATOM 214 CZ ARG A 17 3.154 -7.932 7.094 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.934 -9.230 7.266 1.00 0.00 N ATOM 216 NH2 ARG A 17 3.879 -7.268 7.980 1.00 0.00 N ATOM 0 H ARG A 17 2.798 -6.192 1.292 1.00 0.00 H new ATOM 0 HA ARG A 17 0.365 -4.695 2.013 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.941 -5.551 4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.027 -6.589 3.335 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.957 -7.929 2.831 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.041 -6.777 3.586 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.848 -7.993 5.247 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.247 -8.973 4.858 1.00 0.00 H new ATOM 0 HE ARG A 17 2.810 -6.287 5.971 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.378 -9.748 6.585 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.321 -9.710 8.079 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.053 -6.271 7.852 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.263 -7.753 8.791 1.00 0.00 H new ATOM 227 N THR A 18 3.552 -4.422 2.646 1.00 0.00 N ATOM 228 CA THR A 18 4.596 -3.506 3.036 1.00 0.00 C ATOM 229 C THR A 18 5.110 -2.734 1.825 1.00 0.00 C ATOM 230 O THR A 18 5.354 -3.311 0.761 1.00 0.00 O ATOM 231 CB THR A 18 5.755 -4.274 3.690 1.00 0.00 C ATOM 232 OG1 THR A 18 5.233 -5.312 4.537 1.00 0.00 O ATOM 233 CG2 THR A 18 6.628 -3.340 4.509 1.00 0.00 C ATOM 0 H THR A 18 3.888 -5.307 2.267 1.00 0.00 H new ATOM 0 HA THR A 18 4.182 -2.799 3.755 1.00 0.00 H new ATOM 0 HB THR A 18 6.364 -4.715 2.901 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.684 -4.912 5.244 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.442 -3.906 4.962 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.041 -2.567 3.861 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.029 -2.875 5.292 1.00 0.00 H new ATOM 241 N LEU A 19 5.244 -1.427 1.986 1.00 0.00 N ATOM 242 CA LEU A 19 5.737 -0.569 0.920 1.00 0.00 C ATOM 243 C LEU A 19 7.225 -0.336 1.081 1.00 0.00 C ATOM 244 O LEU A 19 7.656 0.285 2.052 1.00 0.00 O ATOM 245 CB LEU A 19 5.026 0.785 0.921 1.00 0.00 C ATOM 246 CG LEU A 19 3.573 0.780 0.454 1.00 0.00 C ATOM 247 CD1 LEU A 19 3.022 2.196 0.456 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.450 0.163 -0.931 1.00 0.00 C ATOM 0 H LEU A 19 5.017 -0.935 2.850 1.00 0.00 H new ATOM 0 HA LEU A 19 5.536 -1.074 -0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.060 1.190 1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.589 1.469 0.285 1.00 0.00 H new ATOM 0 HG LEU A 19 2.990 0.172 1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.985 2.183 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.073 2.605 1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.613 2.817 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.405 0.171 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.044 0.740 -1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.813 -0.864 -0.905 1.00 0.00 H new ATOM 259 N ARG A 20 8.004 -0.845 0.149 1.00 0.00 N ATOM 260 CA ARG A 20 9.441 -0.660 0.189 1.00 0.00 C ATOM 261 C ARG A 20 9.853 0.317 -0.900 1.00 0.00 C ATOM 262 O ARG A 20 9.616 0.067 -2.080 1.00 0.00 O ATOM 263 CB ARG A 20 10.152 -1.997 0.003 1.00 0.00 C ATOM 264 CG ARG A 20 11.665 -1.871 -0.075 1.00 0.00 C ATOM 265 CD ARG A 20 12.345 -3.228 -0.116 1.00 0.00 C ATOM 266 NE ARG A 20 12.310 -3.894 1.185 1.00 0.00 N ATOM 267 CZ ARG A 20 13.315 -4.614 1.680 1.00 0.00 C ATOM 268 NH1 ARG A 20 14.376 -4.876 0.931 1.00 0.00 N ATOM 269 NH2 ARG A 20 13.241 -5.096 2.913 1.00 0.00 N ATOM 0 H ARG A 20 7.667 -1.390 -0.645 1.00 0.00 H new ATOM 0 HA ARG A 20 9.726 -0.255 1.160 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.892 -2.656 0.831 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.787 -2.470 -0.908 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.936 -1.302 -0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.027 -1.309 0.786 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.856 -3.857 -0.859 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.380 -3.106 -0.434 1.00 0.00 H new ATOM 0 HE ARG A 20 11.464 -3.802 1.748 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.424 -4.526 -0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.145 -5.428 1.311 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.414 -4.915 3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.011 -5.647 3.292 1.00 0.00 H new ATOM 280 N ALA A 21 10.473 1.419 -0.510 1.00 0.00 N ATOM 281 CA ALA A 21 10.889 2.431 -1.467 1.00 0.00 C ATOM 282 C ALA A 21 12.089 3.212 -0.960 1.00 0.00 C ATOM 283 O ALA A 21 12.464 3.109 0.211 1.00 0.00 O ATOM 284 CB ALA A 21 9.733 3.378 -1.754 1.00 0.00 C ATOM 0 H ALA A 21 10.699 1.635 0.461 1.00 0.00 H new ATOM 0 HA ALA A 21 11.182 1.926 -2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.052 4.134 -2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.896 2.815 -2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.423 3.864 -0.829 1.00 0.00 H new ATOM 290 N GLU A 22 12.697 3.981 -1.855 1.00 0.00 N ATOM 291 CA GLU A 22 13.836 4.809 -1.502 1.00 0.00 C ATOM 292 C GLU A 22 13.313 6.155 -1.053 1.00 0.00 C ATOM 293 O GLU A 22 12.840 6.940 -1.874 1.00 0.00 O ATOM 294 CB GLU A 22 14.770 5.009 -2.700 1.00 0.00 C ATOM 295 CG GLU A 22 15.124 3.720 -3.417 1.00 0.00 C ATOM 296 CD GLU A 22 16.104 3.939 -4.545 1.00 0.00 C ATOM 297 OE1 GLU A 22 15.756 4.644 -5.512 1.00 0.00 O ATOM 298 OE2 GLU A 22 17.225 3.393 -4.473 1.00 0.00 O ATOM 0 H GLU A 22 12.416 4.046 -2.833 1.00 0.00 H new ATOM 0 HA GLU A 22 14.403 4.319 -0.710 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.298 5.691 -3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.687 5.489 -2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.548 3.015 -2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.215 3.266 -3.812 1.00 0.00 H new ATOM 303 N CYS A 23 13.356 6.411 0.239 1.00 0.00 N ATOM 304 CA CYS A 23 12.858 7.663 0.768 1.00 0.00 C ATOM 305 C CYS A 23 13.997 8.645 0.949 1.00 0.00 C ATOM 306 O CYS A 23 15.004 8.329 1.578 1.00 0.00 O ATOM 307 CB CYS A 23 12.141 7.424 2.091 1.00 0.00 C ATOM 308 SG CYS A 23 10.822 6.196 1.987 1.00 0.00 S ATOM 0 H CYS A 23 13.730 5.771 0.939 1.00 0.00 H new ATOM 0 HA CYS A 23 12.146 8.088 0.060 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.869 7.101 2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.722 8.367 2.443 1.00 0.00 H new ATOM 0 HG CYS A 23 10.358 6.159 0.773 1.00 0.00 H new ATOM 313 N ARG A 24 13.853 9.821 0.366 1.00 0.00 N ATOM 314 CA ARG A 24 14.868 10.837 0.476 1.00 0.00 C ATOM 315 C ARG A 24 14.782 11.516 1.833 1.00 0.00 C ATOM 316 O ARG A 24 13.807 12.205 2.136 1.00 0.00 O ATOM 317 CB ARG A 24 14.690 11.836 -0.656 1.00 0.00 C ATOM 318 CG ARG A 24 15.823 12.822 -0.797 1.00 0.00 C ATOM 319 CD ARG A 24 15.874 13.335 -2.216 1.00 0.00 C ATOM 320 NE ARG A 24 16.680 14.546 -2.349 1.00 0.00 N ATOM 321 CZ ARG A 24 17.340 14.878 -3.458 1.00 0.00 C ATOM 322 NH1 ARG A 24 17.283 14.093 -4.529 1.00 0.00 N ATOM 323 NH2 ARG A 24 18.050 15.994 -3.495 1.00 0.00 N ATOM 0 H ARG A 24 13.040 10.091 -0.188 1.00 0.00 H new ATOM 0 HA ARG A 24 15.858 10.388 0.395 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.580 11.290 -1.593 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.763 12.386 -0.497 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.684 13.652 -0.104 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.768 12.345 -0.538 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.282 12.559 -2.864 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.860 13.538 -2.561 1.00 0.00 H new ATOM 0 HE ARG A 24 16.741 15.173 -1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.733 13.234 -4.503 1.00 0.00 H new ATOM 0 HH12 ARG A 24 17.789 14.349 -5.377 1.00 0.00 H new ATOM 0 HH21 ARG A 24 18.092 16.599 -2.675 1.00 0.00 H new ATOM 0 HH22 ARG A 24 18.556 16.249 -4.343 1.00 0.00 H new ATOM 334 N ASN A 25 15.793 11.288 2.658 1.00 0.00 N ATOM 335 CA ASN A 25 15.835 11.868 3.990 1.00 0.00 C ATOM 336 C ASN A 25 16.164 13.354 3.910 1.00 0.00 C ATOM 337 O ASN A 25 16.555 13.855 2.847 1.00 0.00 O ATOM 338 CB ASN A 25 16.829 11.121 4.898 1.00 0.00 C ATOM 339 CG ASN A 25 18.274 11.178 4.430 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.703 12.136 3.795 1.00 0.00 O ATOM 341 ND2 ASN A 25 19.038 10.144 4.745 1.00 0.00 N ATOM 0 H ASN A 25 16.597 10.704 2.427 1.00 0.00 H new ATOM 0 HA ASN A 25 14.848 11.760 4.440 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.769 11.539 5.903 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.524 10.077 4.968 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.017 10.127 4.459 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.648 9.364 5.274 1.00 0.00 H new ATOM 347 N ALA A 26 16.041 14.037 5.047 1.00 0.00 N ATOM 348 CA ALA A 26 16.271 15.478 5.140 1.00 0.00 C ATOM 349 C ALA A 26 17.708 15.869 4.817 1.00 0.00 C ATOM 350 O ALA A 26 18.012 17.050 4.658 1.00 0.00 O ATOM 351 CB ALA A 26 15.896 15.976 6.522 1.00 0.00 C ATOM 0 H ALA A 26 15.778 13.605 5.933 1.00 0.00 H new ATOM 0 HA ALA A 26 15.636 15.950 4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.071 17.050 6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.843 15.769 6.710 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.505 15.467 7.270 1.00 0.00 H new ATOM 357 N ASP A 27 18.587 14.885 4.740 1.00 0.00 N ATOM 358 CA ASP A 27 19.984 15.130 4.410 1.00 0.00 C ATOM 359 C ASP A 27 20.146 15.098 2.895 1.00 0.00 C ATOM 360 O ASP A 27 21.179 15.482 2.346 1.00 0.00 O ATOM 361 CB ASP A 27 20.876 14.072 5.069 1.00 0.00 C ATOM 362 CG ASP A 27 22.354 14.301 4.821 1.00 0.00 C ATOM 363 OD1 ASP A 27 22.951 15.157 5.509 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.934 13.616 3.955 1.00 0.00 O ATOM 0 H ASP A 27 18.359 13.904 4.902 1.00 0.00 H new ATOM 0 HA ASP A 27 20.285 16.108 4.785 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.691 14.067 6.143 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.599 13.087 4.693 1.00 0.00 H new ATOM 368 N GLY A 28 19.084 14.656 2.226 1.00 0.00 N ATOM 369 CA GLY A 28 19.089 14.558 0.781 1.00 0.00 C ATOM 370 C GLY A 28 19.617 13.218 0.317 1.00 0.00 C ATOM 371 O GLY A 28 20.158 13.099 -0.782 1.00 0.00 O ATOM 0 H GLY A 28 18.213 14.362 2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.077 14.702 0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.703 15.356 0.363 1.00 0.00 H new ATOM 375 N ASN A 29 19.444 12.203 1.151 1.00 0.00 N ATOM 376 CA ASN A 29 19.935 10.863 0.832 1.00 0.00 C ATOM 377 C ASN A 29 18.782 9.893 0.612 1.00 0.00 C ATOM 378 O ASN A 29 17.663 10.147 1.045 1.00 0.00 O ATOM 379 CB ASN A 29 20.815 10.337 1.964 1.00 0.00 C ATOM 380 CG ASN A 29 21.757 9.242 1.504 1.00 0.00 C ATOM 381 OD1 ASN A 29 22.162 9.204 0.344 1.00 0.00 O ATOM 382 ND2 ASN A 29 22.122 8.356 2.414 1.00 0.00 N ATOM 0 H ASN A 29 18.970 12.277 2.051 1.00 0.00 H new ATOM 0 HA ASN A 29 20.517 10.936 -0.086 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.395 11.160 2.381 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.182 9.955 2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 29 22.764 7.604 2.165 1.00 0.00 H new ATOM 0 HD22 ASN A 29 21.762 8.425 3.366 1.00 0.00 H new ATOM 388 N TRP A 30 19.068 8.776 -0.041 1.00 0.00 N ATOM 389 CA TRP A 30 18.055 7.763 -0.308 1.00 0.00 C ATOM 390 C TRP A 30 18.199 6.591 0.653 1.00 0.00 C ATOM 391 O TRP A 30 19.220 5.899 0.658 1.00 0.00 O ATOM 392 CB TRP A 30 18.153 7.243 -1.743 1.00 0.00 C ATOM 393 CG TRP A 30 17.844 8.270 -2.786 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.728 8.854 -3.643 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.562 8.833 -3.090 1.00 0.00 C ATOM 396 NE1 TRP A 30 18.072 9.734 -4.467 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.745 9.743 -4.145 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.279 8.658 -2.574 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.696 10.470 -4.695 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.237 9.383 -3.120 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.451 10.279 -4.171 1.00 0.00 C ATOM 0 H TRP A 30 19.996 8.547 -0.397 1.00 0.00 H new ATOM 0 HA TRP A 30 17.083 8.235 -0.167 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.160 6.860 -1.912 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.469 6.403 -1.861 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.789 8.654 -3.670 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.506 10.292 -5.202 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.102 7.968 -1.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.861 11.161 -5.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.239 9.255 -2.727 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.615 10.830 -4.576 1.00 0.00 H new ATOM 411 N VAL A 31 17.178 6.382 1.465 1.00 0.00 N ATOM 412 CA VAL A 31 17.174 5.290 2.423 1.00 0.00 C ATOM 413 C VAL A 31 16.024 4.333 2.140 1.00 0.00 C ATOM 414 O VAL A 31 14.930 4.759 1.765 1.00 0.00 O ATOM 415 CB VAL A 31 17.068 5.791 3.880 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.385 6.395 4.340 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.943 6.801 4.036 1.00 0.00 C ATOM 0 H VAL A 31 16.336 6.958 1.480 1.00 0.00 H new ATOM 0 HA VAL A 31 18.126 4.771 2.309 1.00 0.00 H new ATOM 0 HB VAL A 31 16.841 4.930 4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.287 6.741 5.369 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.170 5.641 4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.644 7.236 3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.894 7.134 5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.130 7.657 3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.996 6.337 3.759 1.00 0.00 H new ATOM 427 N THR A 32 16.280 3.045 2.295 1.00 0.00 N ATOM 428 CA THR A 32 15.259 2.042 2.071 1.00 0.00 C ATOM 429 C THR A 32 14.370 1.935 3.300 1.00 0.00 C ATOM 430 O THR A 32 14.789 1.431 4.344 1.00 0.00 O ATOM 431 CB THR A 32 15.883 0.668 1.761 1.00 0.00 C ATOM 432 OG1 THR A 32 16.765 0.776 0.634 1.00 0.00 O ATOM 433 CG2 THR A 32 14.804 -0.369 1.470 1.00 0.00 C ATOM 0 H THR A 32 17.187 2.672 2.575 1.00 0.00 H new ATOM 0 HA THR A 32 14.665 2.347 1.210 1.00 0.00 H new ATOM 0 HB THR A 32 16.446 0.344 2.636 1.00 0.00 H new ATOM 0 HG1 THR A 32 17.160 -0.100 0.443 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.271 -1.330 1.254 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.152 -0.469 2.338 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.216 -0.050 0.609 1.00 0.00 H new ATOM 441 N SER A 33 13.147 2.413 3.172 1.00 0.00 N ATOM 442 CA SER A 33 12.204 2.381 4.271 1.00 0.00 C ATOM 443 C SER A 33 10.973 1.581 3.887 1.00 0.00 C ATOM 444 O SER A 33 10.609 1.515 2.710 1.00 0.00 O ATOM 445 CB SER A 33 11.816 3.802 4.669 1.00 0.00 C ATOM 446 OG SER A 33 12.956 4.542 5.069 1.00 0.00 O ATOM 0 H SER A 33 12.783 2.829 2.315 1.00 0.00 H new ATOM 0 HA SER A 33 12.676 1.896 5.126 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.330 4.300 3.830 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.093 3.771 5.484 1.00 0.00 H new ATOM 0 HG SER A 33 12.776 5.500 4.969 1.00 0.00 H new ATOM 451 N GLU A 34 10.347 0.963 4.878 1.00 0.00 N ATOM 452 CA GLU A 34 9.157 0.162 4.646 1.00 0.00 C ATOM 453 C GLU A 34 8.053 0.532 5.627 1.00 0.00 C ATOM 454 O GLU A 34 8.325 0.892 6.775 1.00 0.00 O ATOM 455 CB GLU A 34 9.481 -1.327 4.769 1.00 0.00 C ATOM 456 CG GLU A 34 10.475 -1.823 3.736 1.00 0.00 C ATOM 457 CD GLU A 34 10.679 -3.321 3.793 1.00 0.00 C ATOM 458 OE1 GLU A 34 11.376 -3.798 4.711 1.00 0.00 O ATOM 459 OE2 GLU A 34 10.170 -4.029 2.900 1.00 0.00 O ATOM 0 H GLU A 34 10.645 1.002 5.853 1.00 0.00 H new ATOM 0 HA GLU A 34 8.807 0.368 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.878 -1.522 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.558 -1.899 4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.127 -1.546 2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.432 -1.324 3.890 1.00 0.00 H new ATOM 464 N LEU A 35 6.817 0.465 5.159 1.00 0.00 N ATOM 465 CA LEU A 35 5.655 0.764 5.987 1.00 0.00 C ATOM 466 C LEU A 35 4.560 -0.247 5.667 1.00 0.00 C ATOM 467 O LEU A 35 4.270 -0.504 4.496 1.00 0.00 O ATOM 468 CB LEU A 35 5.157 2.201 5.726 1.00 0.00 C ATOM 469 CG LEU A 35 4.239 2.823 6.798 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.849 2.208 6.765 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.848 2.664 8.183 1.00 0.00 C ATOM 0 H LEU A 35 6.589 0.203 4.200 1.00 0.00 H new ATOM 0 HA LEU A 35 5.926 0.694 7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.028 2.846 5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.623 2.209 4.776 1.00 0.00 H new ATOM 0 HG LEU A 35 4.144 3.885 6.573 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.229 2.669 7.533 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.400 2.376 5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.921 1.137 6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.185 3.109 8.925 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.980 1.605 8.403 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.816 3.164 8.214 1.00 0.00 H new ATOM 482 N ASP A 36 3.969 -0.826 6.698 1.00 0.00 N ATOM 483 CA ASP A 36 2.909 -1.807 6.507 1.00 0.00 C ATOM 484 C ASP A 36 1.550 -1.138 6.473 1.00 0.00 C ATOM 485 O ASP A 36 1.063 -0.646 7.488 1.00 0.00 O ATOM 486 CB ASP A 36 2.918 -2.859 7.616 1.00 0.00 C ATOM 487 CG ASP A 36 3.957 -3.928 7.390 1.00 0.00 C ATOM 488 OD1 ASP A 36 3.704 -4.839 6.578 1.00 0.00 O ATOM 489 OD2 ASP A 36 5.030 -3.866 8.023 1.00 0.00 O ATOM 0 H ASP A 36 4.202 -0.637 7.673 1.00 0.00 H new ATOM 0 HA ASP A 36 3.096 -2.296 5.551 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.105 -2.372 8.573 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.933 -3.322 7.681 1.00 0.00 H new ATOM 493 N LEU A 37 0.938 -1.126 5.306 1.00 0.00 N ATOM 494 CA LEU A 37 -0.377 -0.528 5.149 1.00 0.00 C ATOM 495 C LEU A 37 -1.443 -1.503 5.621 1.00 0.00 C ATOM 496 O LEU A 37 -2.560 -1.113 5.942 1.00 0.00 O ATOM 497 CB LEU A 37 -0.635 -0.177 3.687 1.00 0.00 C ATOM 498 CG LEU A 37 0.595 0.216 2.871 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.194 0.531 1.444 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.298 1.404 3.499 1.00 0.00 C ATOM 0 H LEU A 37 1.328 -1.523 4.451 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.415 0.383 5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.109 -1.032 3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.350 0.645 3.651 1.00 0.00 H new ATOM 0 HG LEU A 37 1.289 -0.624 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.078 0.810 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.268 -0.347 0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.517 1.357 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.171 1.667 2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.615 2.253 3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.614 1.147 4.510 1.00 0.00 H new ATOM 511 N ASP A 38 -1.066 -2.774 5.679 1.00 0.00 N ATOM 512 CA ASP A 38 -1.971 -3.848 6.087 1.00 0.00 C ATOM 513 C ASP A 38 -2.531 -3.633 7.491 1.00 0.00 C ATOM 514 O ASP A 38 -3.542 -4.219 7.851 1.00 0.00 O ATOM 515 CB ASP A 38 -1.238 -5.189 6.029 1.00 0.00 C ATOM 516 CG ASP A 38 -2.144 -6.371 6.249 1.00 0.00 C ATOM 517 OD1 ASP A 38 -2.802 -6.802 5.281 1.00 0.00 O ATOM 518 OD2 ASP A 38 -2.175 -6.895 7.384 1.00 0.00 O ATOM 0 H ASP A 38 -0.125 -3.092 5.445 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.812 -3.846 5.394 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.752 -5.288 5.059 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.450 -5.198 6.783 1.00 0.00 H new ATOM 522 N THR A 39 -1.882 -2.786 8.281 1.00 0.00 N ATOM 523 CA THR A 39 -2.338 -2.524 9.639 1.00 0.00 C ATOM 524 C THR A 39 -3.459 -1.479 9.662 1.00 0.00 C ATOM 525 O THR A 39 -4.049 -1.218 10.714 1.00 0.00 O ATOM 526 CB THR A 39 -1.173 -2.069 10.549 1.00 0.00 C ATOM 527 OG1 THR A 39 -1.602 -2.026 11.917 1.00 0.00 O ATOM 528 CG2 THR A 39 -0.658 -0.697 10.138 1.00 0.00 C ATOM 0 H THR A 39 -1.044 -2.273 8.007 1.00 0.00 H new ATOM 0 HA THR A 39 -2.733 -3.463 10.027 1.00 0.00 H new ATOM 0 HB THR A 39 -0.364 -2.791 10.441 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.530 -1.715 11.959 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.160 -0.404 10.795 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.301 -0.736 9.109 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.464 0.032 10.215 1.00 0.00 H new ATOM 536 N CYS A 40 -3.749 -0.878 8.512 1.00 0.00 N ATOM 537 CA CYS A 40 -4.808 0.123 8.438 1.00 0.00 C ATOM 538 C CYS A 40 -5.703 -0.098 7.217 1.00 0.00 C ATOM 539 O CYS A 40 -6.817 0.412 7.161 1.00 0.00 O ATOM 540 CB CYS A 40 -4.220 1.534 8.421 1.00 0.00 C ATOM 541 SG CYS A 40 -5.451 2.845 8.631 1.00 0.00 S ATOM 0 H CYS A 40 -3.273 -1.063 7.629 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.426 0.014 9.330 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.477 1.617 9.214 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.697 1.688 7.477 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.878 4.004 8.498 1.00 0.00 H new ATOM 546 N ILE A 41 -5.221 -0.850 6.237 1.00 0.00 N ATOM 547 CA ILE A 41 -6.016 -1.142 5.055 1.00 0.00 C ATOM 548 C ILE A 41 -6.657 -2.513 5.196 1.00 0.00 C ATOM 549 O ILE A 41 -5.980 -3.496 5.504 1.00 0.00 O ATOM 550 CB ILE A 41 -5.183 -1.115 3.754 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.523 0.247 3.565 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.066 -1.443 2.559 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.711 0.358 2.289 1.00 0.00 C ATOM 0 H ILE A 41 -4.290 -1.266 6.237 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.774 -0.362 4.982 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.399 -1.868 3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.294 1.018 3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.874 0.448 4.417 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.468 -1.421 1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.497 -2.436 2.687 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.867 -0.707 2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.272 1.353 2.223 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.917 -0.389 2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.359 0.190 1.429 1.00 0.00 H new ATOM 564 N GLY A 42 -7.958 -2.576 4.979 1.00 0.00 N ATOM 565 CA GLY A 42 -8.661 -3.832 5.083 1.00 0.00 C ATOM 566 C GLY A 42 -9.715 -3.969 4.017 1.00 0.00 C ATOM 567 O GLY A 42 -10.084 -2.983 3.377 1.00 0.00 O ATOM 0 H GLY A 42 -8.541 -1.777 4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.951 -4.655 5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.125 -3.909 6.066 1.00 0.00 H new ATOM 571 N ASN A 43 -10.201 -5.186 3.818 1.00 0.00 N ATOM 572 CA ASN A 43 -11.212 -5.439 2.799 1.00 0.00 C ATOM 573 C ASN A 43 -11.954 -6.769 3.011 1.00 0.00 C ATOM 574 O ASN A 43 -12.155 -7.519 2.055 1.00 0.00 O ATOM 575 CB ASN A 43 -10.539 -5.439 1.422 1.00 0.00 C ATOM 576 CG ASN A 43 -9.480 -6.523 1.283 1.00 0.00 C ATOM 577 OD1 ASN A 43 -8.916 -6.998 2.267 1.00 0.00 O ATOM 578 ND2 ASN A 43 -9.177 -6.898 0.057 1.00 0.00 N ATOM 0 H ASN A 43 -9.914 -6.011 4.345 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.957 -4.647 2.869 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.298 -5.578 0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.081 -4.466 1.246 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.455 -7.602 -0.097 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.664 -6.484 -0.738 1.00 0.00 H new ATOM 584 N PRO A 44 -12.423 -7.074 4.238 1.00 0.00 N ATOM 585 CA PRO A 44 -13.129 -8.333 4.499 1.00 0.00 C ATOM 586 C PRO A 44 -14.521 -8.336 3.877 1.00 0.00 C ATOM 587 O PRO A 44 -15.091 -9.393 3.597 1.00 0.00 O ATOM 588 CB PRO A 44 -13.219 -8.386 6.024 1.00 0.00 C ATOM 589 CG PRO A 44 -13.172 -6.963 6.464 1.00 0.00 C ATOM 590 CD PRO A 44 -12.333 -6.232 5.451 1.00 0.00 C ATOM 0 HA PRO A 44 -12.616 -9.193 4.068 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.141 -8.869 6.348 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.394 -8.958 6.448 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.175 -6.539 6.516 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.739 -6.879 7.461 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.713 -5.227 5.268 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.302 -6.126 5.788 1.00 0.00 H new ATOM 595 N ASN A 45 -15.046 -7.138 3.654 1.00 0.00 N ATOM 596 CA ASN A 45 -16.367 -6.958 3.068 1.00 0.00 C ATOM 597 C ASN A 45 -16.292 -7.022 1.549 1.00 0.00 C ATOM 598 O ASN A 45 -17.306 -7.181 0.868 1.00 0.00 O ATOM 599 CB ASN A 45 -16.945 -5.602 3.490 1.00 0.00 C ATOM 600 CG ASN A 45 -16.961 -5.415 4.986 1.00 0.00 C ATOM 601 OD1 ASN A 45 -15.982 -4.959 5.578 1.00 0.00 O ATOM 602 ND2 ASN A 45 -18.068 -5.751 5.604 1.00 0.00 N ATOM 0 H ASN A 45 -14.568 -6.264 3.874 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.013 -7.760 3.425 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.358 -4.804 3.035 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -17.961 -5.509 3.106 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -18.142 -5.638 6.615 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -18.855 -6.125 5.074 1.00 0.00 H new ATOM 608 N GLY A 46 -15.081 -6.913 1.022 1.00 0.00 N ATOM 609 CA GLY A 46 -14.894 -6.935 -0.412 1.00 0.00 C ATOM 610 C GLY A 46 -14.625 -5.555 -0.971 1.00 0.00 C ATOM 611 O GLY A 46 -14.605 -5.357 -2.184 1.00 0.00 O ATOM 0 H GLY A 46 -14.223 -6.810 1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.062 -7.594 -0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.782 -7.351 -0.887 1.00 0.00 H new ATOM 615 N PHE A 47 -14.434 -4.594 -0.078 1.00 0.00 N ATOM 616 CA PHE A 47 -14.154 -3.224 -0.471 1.00 0.00 C ATOM 617 C PHE A 47 -12.869 -2.745 0.186 1.00 0.00 C ATOM 618 O PHE A 47 -12.610 -3.051 1.347 1.00 0.00 O ATOM 619 CB PHE A 47 -15.315 -2.304 -0.093 1.00 0.00 C ATOM 620 CG PHE A 47 -16.574 -2.584 -0.855 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.629 -2.375 -2.225 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.702 -3.056 -0.206 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.787 -2.630 -2.931 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.864 -3.313 -0.907 1.00 0.00 C ATOM 625 CZ PHE A 47 -18.907 -3.099 -2.272 1.00 0.00 C ATOM 0 H PHE A 47 -14.469 -4.742 0.931 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.032 -3.194 -1.554 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.516 -2.405 0.974 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.019 -1.269 -0.265 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.756 -2.009 -2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.673 -3.225 0.860 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.818 -2.463 -3.998 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.738 -3.681 -0.389 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.815 -3.298 -2.822 1.00 0.00 H new ATOM 634 N LEU A 48 -12.071 -2.005 -0.566 1.00 0.00 N ATOM 635 CA LEU A 48 -10.806 -1.485 -0.066 1.00 0.00 C ATOM 636 C LEU A 48 -11.006 -0.155 0.646 1.00 0.00 C ATOM 637 O LEU A 48 -11.864 0.638 0.265 1.00 0.00 O ATOM 638 CB LEU A 48 -9.825 -1.302 -1.224 1.00 0.00 C ATOM 639 CG LEU A 48 -9.322 -2.593 -1.869 1.00 0.00 C ATOM 640 CD1 LEU A 48 -8.486 -2.278 -3.099 1.00 0.00 C ATOM 641 CD2 LEU A 48 -8.512 -3.404 -0.869 1.00 0.00 C ATOM 0 H LEU A 48 -12.278 -1.749 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.402 -2.203 0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.305 -0.696 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.965 -0.737 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.183 -3.186 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.135 -3.207 -3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.093 -1.733 -3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.630 -1.668 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.161 -4.320 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.656 -2.818 -0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.138 -3.655 -0.013 1.00 0.00 H new ATOM 652 N GLY A 49 -10.218 0.079 1.682 1.00 0.00 N ATOM 653 CA GLY A 49 -10.313 1.318 2.418 1.00 0.00 C ATOM 654 C GLY A 49 -9.476 1.288 3.674 1.00 0.00 C ATOM 655 O GLY A 49 -8.934 0.242 4.041 1.00 0.00 O ATOM 0 H GLY A 49 -9.511 -0.571 2.027 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.988 2.143 1.784 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.354 1.507 2.679 1.00 0.00 H new ATOM 659 N TRP A 50 -9.372 2.429 4.334 1.00 0.00 N ATOM 660 CA TRP A 50 -8.600 2.532 5.557 1.00 0.00 C ATOM 661 C TRP A 50 -9.527 2.367 6.761 1.00 0.00 C ATOM 662 O TRP A 50 -10.526 3.076 6.884 1.00 0.00 O ATOM 663 CB TRP A 50 -7.887 3.891 5.628 1.00 0.00 C ATOM 664 CG TRP A 50 -6.904 4.143 4.511 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.158 4.729 3.299 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.505 3.834 4.513 1.00 0.00 C ATOM 667 NE1 TRP A 50 -6.001 4.798 2.552 1.00 0.00 N ATOM 668 CE2 TRP A 50 -4.976 4.251 3.274 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.647 3.246 5.439 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.633 4.093 2.944 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.315 3.089 5.111 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.818 3.511 3.873 1.00 0.00 C ATOM 0 H TRP A 50 -9.815 3.300 4.040 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.847 1.744 5.568 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.638 4.681 5.619 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.361 3.961 6.580 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.125 5.085 2.975 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.922 5.192 1.615 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.018 2.918 6.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.249 4.419 1.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.644 2.632 5.823 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.771 3.374 3.648 1.00 0.00 H new ATOM 682 N GLY A 51 -9.201 1.424 7.632 1.00 0.00 N ATOM 683 CA GLY A 51 -10.011 1.180 8.813 1.00 0.00 C ATOM 684 C GLY A 51 -9.774 -0.198 9.404 1.00 0.00 C ATOM 685 O GLY A 51 -9.514 -0.334 10.599 1.00 0.00 O ATOM 0 H GLY A 51 -8.385 0.818 7.543 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.789 1.938 9.565 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.065 1.285 8.555 1.00 0.00 H new ATOM 689 N MET A 52 -9.879 -1.219 8.566 1.00 0.00 N ATOM 690 CA MET A 52 -9.663 -2.600 8.989 1.00 0.00 C ATOM 691 C MET A 52 -8.233 -2.990 8.640 1.00 0.00 C ATOM 692 O MET A 52 -7.505 -2.191 8.071 1.00 0.00 O ATOM 693 CB MET A 52 -10.674 -3.514 8.286 1.00 0.00 C ATOM 694 CG MET A 52 -11.034 -4.783 9.052 1.00 0.00 C ATOM 695 SD MET A 52 -12.347 -4.536 10.270 1.00 0.00 S ATOM 696 CE MET A 52 -11.529 -3.526 11.504 1.00 0.00 C ATOM 0 H MET A 52 -10.115 -1.118 7.579 1.00 0.00 H new ATOM 0 HA MET A 52 -9.808 -2.703 10.064 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.587 -2.947 8.101 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.271 -3.796 7.313 1.00 0.00 H new ATOM 0 HG2 MET A 52 -11.345 -5.551 8.343 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.144 -5.158 9.558 1.00 0.00 H new ATOM 0 HE1 MET A 52 -12.128 -3.507 12.414 1.00 0.00 H new ATOM 0 HE2 MET A 52 -10.547 -3.945 11.724 1.00 0.00 H new ATOM 0 HE3 MET A 52 -11.414 -2.511 11.125 1.00 0.00 H new ATOM 704 N GLN A 53 -7.820 -4.195 8.977 1.00 0.00 N ATOM 705 CA GLN A 53 -6.464 -4.624 8.690 1.00 0.00 C ATOM 706 C GLN A 53 -6.448 -5.977 7.996 1.00 0.00 C ATOM 707 O GLN A 53 -7.487 -6.634 7.885 1.00 0.00 O ATOM 708 CB GLN A 53 -5.646 -4.696 9.980 1.00 0.00 C ATOM 709 CG GLN A 53 -6.301 -5.513 11.081 1.00 0.00 C ATOM 710 CD GLN A 53 -7.242 -4.694 11.944 1.00 0.00 C ATOM 711 OE1 GLN A 53 -8.445 -4.631 11.694 1.00 0.00 O ATOM 712 NE2 GLN A 53 -6.691 -4.050 12.960 1.00 0.00 N ATOM 0 H GLN A 53 -8.399 -4.891 9.447 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.018 -3.889 8.020 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.669 -5.125 9.756 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.474 -3.684 10.346 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.853 -6.339 10.634 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.527 -5.951 11.711 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.689 -4.130 13.131 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.269 -3.473 13.572 1.00 0.00 H new ATOM 719 N ASN A 54 -5.259 -6.378 7.538 1.00 0.00 N ATOM 720 CA ASN A 54 -5.062 -7.656 6.857 1.00 0.00 C ATOM 721 C ASN A 54 -5.830 -7.706 5.541 1.00 0.00 C ATOM 722 O ASN A 54 -6.691 -8.566 5.331 1.00 0.00 O ATOM 723 CB ASN A 54 -5.458 -8.834 7.759 1.00 0.00 C ATOM 724 CG ASN A 54 -4.351 -9.257 8.704 1.00 0.00 C ATOM 725 OD1 ASN A 54 -3.527 -10.113 8.374 1.00 0.00 O ATOM 726 ND2 ASN A 54 -4.331 -8.673 9.891 1.00 0.00 N ATOM 0 H ASN A 54 -4.407 -5.824 7.630 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.999 -7.744 6.632 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.338 -8.559 8.340 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.740 -9.683 7.136 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.615 -8.927 10.572 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.031 -7.969 10.125 1.00 0.00 H new ATOM 732 N PHE A 55 -5.504 -6.784 4.649 1.00 0.00 N ATOM 733 CA PHE A 55 -6.156 -6.717 3.356 1.00 0.00 C ATOM 734 C PHE A 55 -5.461 -7.632 2.356 1.00 0.00 C ATOM 735 O PHE A 55 -6.101 -8.200 1.476 1.00 0.00 O ATOM 736 CB PHE A 55 -6.174 -5.278 2.827 1.00 0.00 C ATOM 737 CG PHE A 55 -4.857 -4.793 2.275 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.835 -4.394 3.121 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.645 -4.735 0.904 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.629 -3.948 2.614 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.442 -4.290 0.392 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.433 -3.897 1.248 1.00 0.00 C ATOM 0 H PHE A 55 -4.790 -6.071 4.800 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.185 -7.053 3.482 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.930 -5.202 2.046 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.481 -4.613 3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.983 -4.432 4.190 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.431 -5.042 0.230 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.841 -3.640 3.285 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.291 -4.250 -0.677 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.491 -3.550 0.850 1.00 0.00 H new ATOM 751 N SER A 56 -4.149 -7.788 2.510 1.00 0.00 N ATOM 752 CA SER A 56 -3.360 -8.621 1.607 1.00 0.00 C ATOM 753 C SER A 56 -3.816 -10.076 1.656 1.00 0.00 C ATOM 754 O SER A 56 -3.847 -10.762 0.635 1.00 0.00 O ATOM 755 CB SER A 56 -1.883 -8.507 1.966 1.00 0.00 C ATOM 756 OG SER A 56 -1.505 -7.146 2.079 1.00 0.00 O ATOM 0 H SER A 56 -3.608 -7.347 3.254 1.00 0.00 H new ATOM 0 HA SER A 56 -3.509 -8.266 0.587 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.690 -9.024 2.906 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.278 -8.997 1.203 1.00 0.00 H new ATOM 0 HG SER A 56 -1.135 -6.837 1.226 1.00 0.00 H new ATOM 761 N HIS A 57 -4.188 -10.537 2.843 1.00 0.00 N ATOM 762 CA HIS A 57 -4.660 -11.908 3.014 1.00 0.00 C ATOM 763 C HIS A 57 -6.125 -12.027 2.617 1.00 0.00 C ATOM 764 O HIS A 57 -6.695 -13.117 2.627 1.00 0.00 O ATOM 765 CB HIS A 57 -4.471 -12.370 4.459 1.00 0.00 C ATOM 766 CG HIS A 57 -3.087 -12.848 4.768 1.00 0.00 C ATOM 767 ND1 HIS A 57 -2.030 -11.999 5.006 1.00 0.00 N ATOM 768 CD2 HIS A 57 -2.591 -14.102 4.885 1.00 0.00 C ATOM 769 CE1 HIS A 57 -0.945 -12.708 5.254 1.00 0.00 C ATOM 770 NE2 HIS A 57 -1.259 -13.987 5.186 1.00 0.00 N ATOM 0 H HIS A 57 -4.173 -9.985 3.700 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.068 -12.550 2.362 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -4.718 -11.546 5.129 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.177 -13.173 4.668 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.143 -15.022 4.764 1.00 0.00 H new ATOM 0 HE1 HIS A 57 0.034 -12.309 5.475 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -0.615 -14.764 5.333 1.00 0.00 H new ATOM 778 N SER A 58 -6.729 -10.901 2.269 1.00 0.00 N ATOM 779 CA SER A 58 -8.126 -10.882 1.877 1.00 0.00 C ATOM 780 C SER A 58 -8.279 -10.324 0.458 1.00 0.00 C ATOM 781 O SER A 58 -9.360 -9.895 0.062 1.00 0.00 O ATOM 782 CB SER A 58 -8.930 -10.042 2.875 1.00 0.00 C ATOM 783 OG SER A 58 -8.569 -10.353 4.217 1.00 0.00 O ATOM 0 H SER A 58 -6.272 -9.989 2.251 1.00 0.00 H new ATOM 0 HA SER A 58 -8.510 -11.902 1.882 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.757 -8.983 2.685 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.995 -10.222 2.731 1.00 0.00 H new ATOM 0 HG SER A 58 -7.928 -9.688 4.546 1.00 0.00 H new ATOM 788 N SER A 59 -7.191 -10.318 -0.306 1.00 0.00 N ATOM 789 CA SER A 59 -7.231 -9.811 -1.671 1.00 0.00 C ATOM 790 C SER A 59 -6.291 -10.595 -2.574 1.00 0.00 C ATOM 791 O SER A 59 -5.517 -11.436 -2.111 1.00 0.00 O ATOM 792 CB SER A 59 -6.874 -8.322 -1.701 1.00 0.00 C ATOM 793 OG SER A 59 -5.617 -8.082 -1.099 1.00 0.00 O ATOM 0 H SER A 59 -6.277 -10.656 -0.005 1.00 0.00 H new ATOM 0 HA SER A 59 -8.247 -9.937 -2.045 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.858 -7.970 -2.733 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.643 -7.751 -1.181 1.00 0.00 H new ATOM 0 HG SER A 59 -5.749 -7.762 -0.182 1.00 0.00 H new ATOM 798 N GLU A 60 -6.383 -10.323 -3.866 1.00 0.00 N ATOM 799 CA GLU A 60 -5.551 -10.972 -4.863 1.00 0.00 C ATOM 800 C GLU A 60 -5.130 -9.966 -5.928 1.00 0.00 C ATOM 801 O GLU A 60 -5.813 -8.966 -6.136 1.00 0.00 O ATOM 802 CB GLU A 60 -6.293 -12.161 -5.484 1.00 0.00 C ATOM 803 CG GLU A 60 -7.796 -11.976 -5.601 1.00 0.00 C ATOM 804 CD GLU A 60 -8.500 -13.274 -5.931 1.00 0.00 C ATOM 805 OE1 GLU A 60 -8.614 -13.606 -7.128 1.00 0.00 O ATOM 806 OE2 GLU A 60 -8.917 -13.985 -4.989 1.00 0.00 O ATOM 0 H GLU A 60 -7.039 -9.644 -4.252 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.651 -11.354 -4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.885 -12.349 -6.477 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.095 -13.050 -4.885 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.187 -11.579 -4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.012 -11.239 -6.374 1.00 0.00 H new ATOM 811 N ASP A 61 -3.995 -10.224 -6.575 1.00 0.00 N ATOM 812 CA ASP A 61 -3.466 -9.339 -7.620 1.00 0.00 C ATOM 813 C ASP A 61 -3.143 -7.960 -7.054 1.00 0.00 C ATOM 814 O ASP A 61 -3.735 -6.957 -7.451 1.00 0.00 O ATOM 815 CB ASP A 61 -4.446 -9.205 -8.796 1.00 0.00 C ATOM 816 CG ASP A 61 -4.669 -10.511 -9.527 1.00 0.00 C ATOM 817 OD1 ASP A 61 -3.721 -11.004 -10.173 1.00 0.00 O ATOM 818 OD2 ASP A 61 -5.796 -11.050 -9.469 1.00 0.00 O ATOM 0 H ASP A 61 -3.417 -11.045 -6.394 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.547 -9.793 -7.991 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.402 -8.834 -8.426 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.065 -8.462 -9.497 1.00 0.00 H new ATOM 822 N ILE A 62 -2.198 -7.919 -6.124 1.00 0.00 N ATOM 823 CA ILE A 62 -1.798 -6.666 -5.496 1.00 0.00 C ATOM 824 C ILE A 62 -0.648 -6.012 -6.263 1.00 0.00 C ATOM 825 O ILE A 62 0.443 -6.575 -6.373 1.00 0.00 O ATOM 826 CB ILE A 62 -1.378 -6.883 -4.025 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.527 -7.523 -3.239 1.00 0.00 C ATOM 828 CG2 ILE A 62 -0.964 -5.562 -3.389 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.194 -7.809 -1.791 1.00 0.00 C ATOM 0 H ILE A 62 -1.694 -8.739 -5.787 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.664 -6.004 -5.519 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.521 -7.557 -4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.394 -6.863 -3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.813 -8.455 -3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.671 -5.733 -2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.122 -5.141 -3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.802 -4.865 -3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.057 -8.261 -1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.348 -8.494 -1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.937 -6.878 -1.286 1.00 0.00 H new ATOM 840 N LYS A 63 -0.906 -4.826 -6.798 1.00 0.00 N ATOM 841 CA LYS A 63 0.094 -4.087 -7.558 1.00 0.00 C ATOM 842 C LYS A 63 -0.132 -2.587 -7.387 1.00 0.00 C ATOM 843 O LYS A 63 -1.261 -2.145 -7.202 1.00 0.00 O ATOM 844 CB LYS A 63 -0.003 -4.454 -9.043 1.00 0.00 C ATOM 845 CG LYS A 63 1.226 -4.071 -9.852 1.00 0.00 C ATOM 846 CD LYS A 63 2.412 -4.954 -9.496 1.00 0.00 C ATOM 847 CE LYS A 63 3.644 -4.600 -10.310 1.00 0.00 C ATOM 848 NZ LYS A 63 4.730 -5.600 -10.126 1.00 0.00 N ATOM 0 H LYS A 63 -1.806 -4.352 -6.719 1.00 0.00 H new ATOM 0 HA LYS A 63 1.085 -4.348 -7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.165 -5.528 -9.132 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.876 -3.963 -9.472 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.008 -4.161 -10.916 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.477 -3.027 -9.666 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.636 -4.851 -8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.151 -5.999 -9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.378 -4.541 -11.365 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.004 -3.614 -10.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.555 -5.326 -10.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.000 -5.638 -9.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.395 -6.536 -10.430 1.00 0.00 H new ATOM 858 N LEU A 64 0.934 -1.809 -7.446 1.00 0.00 N ATOM 859 CA LEU A 64 0.827 -0.363 -7.310 1.00 0.00 C ATOM 860 C LEU A 64 0.437 0.262 -8.646 1.00 0.00 C ATOM 861 O LEU A 64 1.013 -0.058 -9.687 1.00 0.00 O ATOM 862 CB LEU A 64 2.150 0.220 -6.808 1.00 0.00 C ATOM 863 CG LEU A 64 2.465 -0.072 -5.340 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.899 0.313 -5.011 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.500 0.667 -4.428 1.00 0.00 C ATOM 0 H LEU A 64 1.884 -2.152 -7.587 1.00 0.00 H new ATOM 0 HA LEU A 64 0.051 -0.133 -6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.960 -0.172 -7.423 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.133 1.300 -6.953 1.00 0.00 H new ATOM 0 HG LEU A 64 2.348 -1.143 -5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.102 0.097 -3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.582 -0.259 -5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.042 1.378 -5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.741 0.446 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.586 1.740 -4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.480 0.346 -4.640 1.00 0.00 H new ATOM 876 N GLU A 65 -0.552 1.152 -8.601 1.00 0.00 N ATOM 877 CA GLU A 65 -1.049 1.813 -9.800 1.00 0.00 C ATOM 878 C GLU A 65 -0.133 2.966 -10.192 1.00 0.00 C ATOM 879 O GLU A 65 0.486 2.950 -11.253 1.00 0.00 O ATOM 880 CB GLU A 65 -2.472 2.326 -9.559 1.00 0.00 C ATOM 881 CG GLU A 65 -3.123 2.953 -10.784 1.00 0.00 C ATOM 882 CD GLU A 65 -3.288 1.970 -11.925 1.00 0.00 C ATOM 883 OE1 GLU A 65 -2.357 1.841 -12.742 1.00 0.00 O ATOM 884 OE2 GLU A 65 -4.352 1.316 -12.009 1.00 0.00 O ATOM 0 H GLU A 65 -1.025 1.431 -7.742 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.064 1.092 -10.617 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.092 1.498 -9.215 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.450 3.062 -8.756 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.100 3.351 -10.508 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.519 3.796 -11.120 1.00 0.00 H new ATOM 889 N GLU A 66 -0.030 3.955 -9.315 1.00 0.00 N ATOM 890 CA GLU A 66 0.811 5.118 -9.570 1.00 0.00 C ATOM 891 C GLU A 66 2.245 4.843 -9.149 1.00 0.00 C ATOM 892 O GLU A 66 2.975 5.751 -8.753 1.00 0.00 O ATOM 893 CB GLU A 66 0.289 6.327 -8.809 1.00 0.00 C ATOM 894 CG GLU A 66 -1.179 6.599 -9.035 1.00 0.00 C ATOM 895 CD GLU A 66 -1.642 7.854 -8.329 1.00 0.00 C ATOM 896 OE1 GLU A 66 -1.546 8.945 -8.925 1.00 0.00 O ATOM 897 OE2 GLU A 66 -2.090 7.756 -7.170 1.00 0.00 O ATOM 0 H GLU A 66 -0.518 3.976 -8.420 1.00 0.00 H new ATOM 0 HA GLU A 66 0.785 5.325 -10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.462 6.177 -7.743 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.862 7.206 -9.104 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.369 6.694 -10.104 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.763 5.749 -8.682 1.00 0.00 H new ATOM 902 N GLY A 67 2.623 3.575 -9.198 1.00 0.00 N ATOM 903 CA GLY A 67 3.965 3.178 -8.827 1.00 0.00 C ATOM 904 C GLY A 67 4.272 3.419 -7.363 1.00 0.00 C ATOM 905 O GLY A 67 5.435 3.432 -6.971 1.00 0.00 O ATOM 0 H GLY A 67 2.018 2.808 -9.491 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.100 2.120 -9.051 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.682 3.727 -9.438 1.00 0.00 H new ATOM 909 N GLY A 68 3.237 3.634 -6.551 1.00 0.00 N ATOM 910 CA GLY A 68 3.462 3.859 -5.140 1.00 0.00 C ATOM 911 C GLY A 68 2.526 4.887 -4.547 1.00 0.00 C ATOM 912 O GLY A 68 2.304 4.901 -3.339 1.00 0.00 O ATOM 0 H GLY A 68 2.260 3.655 -6.845 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.344 2.917 -4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.491 4.184 -4.990 1.00 0.00 H new ATOM 916 N ARG A 69 1.969 5.748 -5.388 1.00 0.00 N ATOM 917 CA ARG A 69 1.052 6.781 -4.918 1.00 0.00 C ATOM 918 C ARG A 69 -0.334 6.174 -4.685 1.00 0.00 C ATOM 919 O ARG A 69 -1.196 6.771 -4.040 1.00 0.00 O ATOM 920 CB ARG A 69 0.968 7.901 -5.958 1.00 0.00 C ATOM 921 CG ARG A 69 0.643 9.278 -5.399 1.00 0.00 C ATOM 922 CD ARG A 69 1.884 10.154 -5.362 1.00 0.00 C ATOM 923 NE ARG A 69 1.565 11.569 -5.182 1.00 0.00 N ATOM 924 CZ ARG A 69 1.321 12.410 -6.191 1.00 0.00 C ATOM 925 NH1 ARG A 69 1.344 11.978 -7.445 1.00 0.00 N ATOM 926 NH2 ARG A 69 1.044 13.682 -5.944 1.00 0.00 N ATOM 0 H ARG A 69 2.134 5.753 -6.395 1.00 0.00 H new ATOM 0 HA ARG A 69 1.419 7.193 -3.978 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.919 7.956 -6.487 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.209 7.636 -6.694 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.124 9.752 -6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.232 9.179 -4.394 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.533 9.825 -4.550 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.443 10.026 -6.289 1.00 0.00 H new ATOM 0 HE ARG A 69 1.526 11.936 -4.231 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.549 10.999 -7.643 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.157 12.625 -8.211 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.017 14.021 -4.982 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.858 14.323 -6.716 1.00 0.00 H new ATOM 937 N LYS A 70 -0.526 4.966 -5.205 1.00 0.00 N ATOM 938 CA LYS A 70 -1.795 4.266 -5.082 1.00 0.00 C ATOM 939 C LYS A 70 -1.587 2.765 -5.240 1.00 0.00 C ATOM 940 O LYS A 70 -0.783 2.331 -6.067 1.00 0.00 O ATOM 941 CB LYS A 70 -2.764 4.772 -6.148 1.00 0.00 C ATOM 942 CG LYS A 70 -4.168 4.199 -6.014 1.00 0.00 C ATOM 943 CD LYS A 70 -5.154 4.811 -7.004 1.00 0.00 C ATOM 944 CE LYS A 70 -5.641 6.184 -6.557 1.00 0.00 C ATOM 945 NZ LYS A 70 -4.636 7.254 -6.789 1.00 0.00 N ATOM 0 H LYS A 70 0.188 4.450 -5.719 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.212 4.458 -4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.817 5.859 -6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.371 4.522 -7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.131 3.120 -6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.528 4.366 -4.999 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.679 4.896 -7.981 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.009 4.145 -7.122 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.558 6.431 -7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.890 6.149 -5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.411 7.721 -5.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.771 6.837 -7.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.022 7.954 -7.454 1.00 0.00 H new ATOM 955 N LEU A 71 -2.315 1.983 -4.458 1.00 0.00 N ATOM 956 CA LEU A 71 -2.216 0.531 -4.506 1.00 0.00 C ATOM 957 C LEU A 71 -3.505 -0.044 -5.075 1.00 0.00 C ATOM 958 O LEU A 71 -4.595 0.369 -4.694 1.00 0.00 O ATOM 959 CB LEU A 71 -1.950 -0.017 -3.096 1.00 0.00 C ATOM 960 CG LEU A 71 -1.671 -1.524 -2.992 1.00 0.00 C ATOM 961 CD1 LEU A 71 -0.841 -1.814 -1.752 1.00 0.00 C ATOM 962 CD2 LEU A 71 -2.967 -2.320 -2.934 1.00 0.00 C ATOM 0 H LEU A 71 -2.987 2.333 -3.776 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.387 0.238 -5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.098 0.518 -2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.812 0.215 -2.471 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.119 -1.827 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.648 -2.885 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.106 -1.277 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.385 -1.488 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.738 -3.383 -2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.544 -2.012 -2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.548 -2.135 -3.838 1.00 0.00 H new ATOM 973 N THR A 72 -3.384 -0.982 -5.992 1.00 0.00 N ATOM 974 CA THR A 72 -4.551 -1.599 -6.597 1.00 0.00 C ATOM 975 C THR A 72 -4.522 -3.111 -6.429 1.00 0.00 C ATOM 976 O THR A 72 -3.489 -3.749 -6.637 1.00 0.00 O ATOM 977 CB THR A 72 -4.664 -1.247 -8.089 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.377 -1.330 -8.721 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.239 0.145 -8.264 1.00 0.00 C ATOM 0 H THR A 72 -2.491 -1.335 -6.336 1.00 0.00 H new ATOM 0 HA THR A 72 -5.425 -1.203 -6.080 1.00 0.00 H new ATOM 0 HB THR A 72 -5.335 -1.965 -8.561 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.746 -1.779 -8.121 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.312 0.378 -9.326 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.231 0.188 -7.814 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.588 0.871 -7.777 1.00 0.00 H new ATOM 987 N CYS A 73 -5.654 -3.676 -6.051 1.00 0.00 N ATOM 988 CA CYS A 73 -5.764 -5.110 -5.854 1.00 0.00 C ATOM 989 C CYS A 73 -7.222 -5.534 -5.924 1.00 0.00 C ATOM 990 O CYS A 73 -8.125 -4.699 -5.933 1.00 0.00 O ATOM 991 CB CYS A 73 -5.154 -5.520 -4.510 1.00 0.00 C ATOM 992 SG CYS A 73 -5.920 -4.744 -3.068 1.00 0.00 S ATOM 0 H CYS A 73 -6.516 -3.160 -5.873 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.211 -5.613 -6.647 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.230 -6.602 -4.407 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.092 -5.274 -4.518 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.331 -5.161 -1.987 1.00 0.00 H new ATOM 997 N ARG A 74 -7.446 -6.827 -5.990 1.00 0.00 N ATOM 998 CA ARG A 74 -8.789 -7.367 -6.060 1.00 0.00 C ATOM 999 C ARG A 74 -9.247 -7.853 -4.690 1.00 0.00 C ATOM 1000 O ARG A 74 -8.836 -8.920 -4.233 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.837 -8.514 -7.068 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.158 -9.261 -7.083 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.100 -10.469 -7.997 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.336 -11.244 -7.953 1.00 0.00 N ATOM 1005 CZ ARG A 74 -11.715 -12.091 -8.914 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -10.908 -12.338 -9.940 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -12.883 -12.715 -8.830 1.00 0.00 N ATOM 0 H ARG A 74 -6.709 -7.532 -5.997 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.464 -6.576 -6.386 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.643 -8.118 -8.065 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.035 -9.217 -6.843 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.409 -9.580 -6.071 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.953 -8.591 -7.412 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.913 -10.142 -9.020 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.263 -11.104 -7.707 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.945 -11.133 -7.142 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.998 -11.881 -9.995 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.199 -12.985 -10.673 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.494 -12.548 -8.030 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.170 -13.361 -9.565 1.00 0.00 H new ATOM 1018 N PRO A 75 -10.084 -7.062 -4.007 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.613 -7.425 -2.697 1.00 0.00 C ATOM 1020 C PRO A 75 -11.627 -8.548 -2.816 1.00 0.00 C ATOM 1021 O PRO A 75 -12.602 -8.426 -3.554 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.289 -6.140 -2.217 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.664 -5.426 -3.468 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.584 -5.752 -4.459 1.00 0.00 C ATOM 0 HA PRO A 75 -9.843 -7.785 -2.014 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.165 -6.357 -1.606 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.614 -5.541 -1.605 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.639 -5.754 -3.829 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.731 -4.351 -3.301 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.974 -5.801 -5.476 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.796 -4.999 -4.456 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.386 -9.642 -2.115 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.280 -10.783 -2.154 1.00 0.00 C ATOM 1031 C LYS A 76 -12.838 -11.087 -0.773 1.00 0.00 C ATOM 1032 O LYS A 76 -12.129 -10.997 0.227 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.556 -11.997 -2.744 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.159 -12.227 -2.179 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.146 -13.273 -1.078 1.00 0.00 C ATOM 1036 CE LYS A 76 -10.308 -14.674 -1.646 1.00 0.00 C ATOM 1037 NZ LYS A 76 -9.193 -15.043 -2.562 1.00 0.00 N ATOM 0 H LYS A 76 -10.574 -9.763 -1.509 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.126 -10.542 -2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.159 -12.887 -2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.483 -11.873 -3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.492 -12.540 -2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.768 -11.287 -1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.210 -13.209 -0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.950 -13.070 -0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.356 -15.392 -0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.254 -14.739 -2.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.117 -16.079 -2.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.381 -14.659 -3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.301 -14.649 -2.200 1.00 0.00 H new ATOM 1047 N THR A 77 -14.117 -11.432 -0.722 1.00 0.00 N ATOM 1048 CA THR A 77 -14.757 -11.739 0.540 1.00 0.00 C ATOM 1049 C THR A 77 -14.323 -13.113 1.014 1.00 0.00 C ATOM 1050 O THR A 77 -14.210 -14.047 0.215 1.00 0.00 O ATOM 1051 CB THR A 77 -16.297 -11.704 0.447 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.851 -11.753 1.764 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.830 -12.876 -0.371 1.00 0.00 C ATOM 0 H THR A 77 -14.725 -11.505 -1.538 1.00 0.00 H new ATOM 0 HA THR A 77 -14.448 -10.971 1.249 1.00 0.00 H new ATOM 0 HB THR A 77 -16.589 -10.780 -0.052 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.618 -12.363 1.774 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.918 -12.822 -0.418 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.421 -12.831 -1.380 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.533 -13.813 0.100 1.00 0.00 H new ATOM 1061 N VAL A 78 -14.107 -13.225 2.313 1.00 0.00 N ATOM 1062 CA VAL A 78 -13.676 -14.471 2.923 1.00 0.00 C ATOM 1063 C VAL A 78 -14.828 -15.461 3.044 1.00 0.00 C ATOM 1064 O VAL A 78 -14.628 -16.610 3.443 1.00 0.00 O ATOM 1065 CB VAL A 78 -13.059 -14.221 4.311 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -11.809 -13.365 4.178 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -14.067 -13.561 5.244 1.00 0.00 C ATOM 0 H VAL A 78 -14.225 -12.457 2.973 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.917 -14.902 2.270 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.782 -15.182 4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.379 -13.193 5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.081 -13.879 3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.069 -12.409 3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.607 -13.395 6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.381 -12.606 4.823 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.935 -14.210 5.359 1.00 0.00 H new ATOM 1077 N ASP A 79 -16.033 -15.010 2.705 1.00 0.00 N ATOM 1078 CA ASP A 79 -17.211 -15.869 2.761 1.00 0.00 C ATOM 1079 C ASP A 79 -17.083 -17.002 1.758 1.00 0.00 C ATOM 1080 O ASP A 79 -17.517 -18.125 2.008 1.00 0.00 O ATOM 1081 CB ASP A 79 -18.491 -15.079 2.474 1.00 0.00 C ATOM 1082 CG ASP A 79 -18.793 -14.042 3.532 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -19.118 -14.425 4.675 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -18.707 -12.836 3.227 1.00 0.00 O ATOM 0 H ASP A 79 -16.218 -14.058 2.390 1.00 0.00 H new ATOM 0 HA ASP A 79 -17.275 -16.277 3.770 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.398 -14.587 1.506 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -19.330 -15.771 2.401 1.00 0.00 H new ATOM 1088 N GLY A 80 -16.473 -16.701 0.623 1.00 0.00 N ATOM 1089 CA GLY A 80 -16.297 -17.705 -0.406 1.00 0.00 C ATOM 1090 C GLY A 80 -15.108 -17.426 -1.299 1.00 0.00 C ATOM 1091 O GLY A 80 -14.726 -18.270 -2.103 1.00 0.00 O ATOM 0 H GLY A 80 -16.097 -15.781 0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.173 -18.681 0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.199 -17.756 -1.015 1.00 0.00 H new ATOM 1095 N GLY A 81 -14.523 -16.242 -1.166 1.00 0.00 N ATOM 1096 CA GLY A 81 -13.381 -15.890 -1.977 1.00 0.00 C ATOM 1097 C GLY A 81 -13.791 -15.215 -3.261 1.00 0.00 C ATOM 1098 O GLY A 81 -13.006 -15.122 -4.202 1.00 0.00 O ATOM 0 H GLY A 81 -14.822 -15.521 -0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.725 -15.228 -1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.807 -16.788 -2.206 1.00 0.00 H new ATOM 1102 N PHE A 82 -15.022 -14.733 -3.289 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.560 -14.079 -4.475 1.00 0.00 C ATOM 1104 C PHE A 82 -15.750 -12.600 -4.209 1.00 0.00 C ATOM 1105 O PHE A 82 -15.961 -12.222 -3.064 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.890 -14.724 -4.897 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.906 -14.839 -3.790 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -18.799 -13.811 -3.535 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -17.969 -15.982 -3.007 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -19.731 -13.917 -2.521 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -18.898 -16.092 -1.990 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.780 -15.060 -1.747 1.00 0.00 C ATOM 0 H PHE A 82 -15.671 -14.781 -2.503 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.850 -14.203 -5.292 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -17.321 -14.140 -5.710 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.688 -15.719 -5.292 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.766 -12.915 -4.137 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -17.284 -16.796 -3.194 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -20.421 -13.107 -2.334 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -18.933 -16.986 -1.385 1.00 0.00 H new ATOM 0 HZ PHE A 82 -20.507 -15.145 -0.953 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.656 -11.775 -5.255 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.839 -10.327 -5.130 1.00 0.00 C ATOM 1123 C ARG A 83 -15.433 -9.611 -6.413 1.00 0.00 C ATOM 1124 O ARG A 83 -15.449 -10.199 -7.494 1.00 0.00 O ATOM 1125 CB ARG A 83 -15.019 -9.775 -3.978 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.776 -8.833 -3.057 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.643 -9.594 -2.070 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.974 -9.897 -2.594 1.00 0.00 N ATOM 1129 CZ ARG A 83 -19.066 -9.997 -1.832 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -19.006 -9.739 -0.528 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -20.225 -10.340 -2.375 1.00 0.00 N ATOM 0 H ARG A 83 -15.453 -12.088 -6.204 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.898 -10.151 -4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.637 -10.609 -3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.155 -9.249 -4.384 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.068 -8.208 -2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.400 -8.166 -3.651 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.145 -10.525 -1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.743 -9.009 -1.156 1.00 0.00 H new ATOM 0 HE ARG A 83 -18.074 -10.040 -3.599 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.121 -9.462 -0.103 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.845 -9.818 0.047 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.284 -10.528 -3.376 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -21.059 -10.416 -1.792 1.00 0.00 H new ATOM 1142 N GLU A 84 -15.030 -8.351 -6.270 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.648 -7.514 -7.400 1.00 0.00 C ATOM 1144 C GLU A 84 -13.220 -7.006 -7.237 1.00 0.00 C ATOM 1145 O GLU A 84 -12.537 -7.354 -6.277 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.582 -6.302 -7.468 1.00 0.00 C ATOM 1147 CG GLU A 84 -17.061 -6.646 -7.428 1.00 0.00 C ATOM 1148 CD GLU A 84 -17.486 -7.542 -8.571 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -17.254 -7.170 -9.738 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -18.079 -8.612 -8.305 1.00 0.00 O ATOM 0 H GLU A 84 -14.960 -7.883 -5.366 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.718 -8.111 -8.309 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.354 -5.636 -6.636 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.375 -5.750 -8.385 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.289 -7.138 -6.483 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.644 -5.726 -7.458 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.774 -6.189 -8.184 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.446 -5.589 -8.117 1.00 0.00 C ATOM 1157 C ARG A 85 -11.602 -4.120 -7.752 1.00 0.00 C ATOM 1158 O ARG A 85 -12.638 -3.520 -8.038 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.691 -5.732 -9.445 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.252 -5.238 -9.377 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.530 -5.398 -10.705 1.00 0.00 C ATOM 1162 NE ARG A 85 -7.153 -4.905 -10.633 1.00 0.00 N ATOM 1163 CZ ARG A 85 -6.155 -5.355 -11.398 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -6.373 -6.306 -12.298 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -4.933 -4.855 -11.260 1.00 0.00 N ATOM 0 H ARG A 85 -13.313 -5.926 -9.009 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.859 -6.109 -7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.694 -6.780 -9.746 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.222 -5.177 -10.218 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.243 -4.188 -9.084 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.716 -5.789 -8.604 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.526 -6.449 -10.993 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.071 -4.857 -11.481 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.943 -4.172 -9.956 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.308 -6.698 -12.409 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.606 -6.644 -12.879 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.755 -4.126 -10.569 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.172 -5.200 -11.845 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.588 -3.540 -7.129 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.666 -2.144 -6.714 1.00 0.00 C ATOM 1178 C GLN A 86 -9.262 -1.554 -6.533 1.00 0.00 C ATOM 1179 O GLN A 86 -8.261 -2.202 -6.843 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.474 -2.063 -5.408 1.00 0.00 C ATOM 1181 CG GLN A 86 -11.965 -0.667 -5.049 1.00 0.00 C ATOM 1182 CD GLN A 86 -12.827 -0.649 -3.801 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.584 -1.715 -3.578 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -12.821 0.316 -3.045 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.710 -4.006 -6.901 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.167 -1.557 -7.484 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.335 -2.727 -5.488 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.857 -2.438 -4.591 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.106 -0.012 -4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.535 -0.262 -5.885 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.226 1.119 -3.248 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.411 0.316 -2.213 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.198 -0.319 -6.057 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.930 0.336 -5.828 1.00 0.00 C ATOM 1193 C GLY A 87 -8.017 1.305 -4.672 1.00 0.00 C ATOM 1194 O GLY A 87 -9.021 2.003 -4.515 1.00 0.00 O ATOM 0 H GLY A 87 -10.014 0.246 -5.823 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.163 -0.411 -5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.624 0.867 -6.729 1.00 0.00 H new ATOM 1198 N ILE A 88 -6.975 1.353 -3.861 1.00 0.00 N ATOM 1199 CA ILE A 88 -6.945 2.235 -2.713 1.00 0.00 C ATOM 1200 C ILE A 88 -5.792 3.227 -2.824 1.00 0.00 C ATOM 1201 O ILE A 88 -4.654 2.862 -3.127 1.00 0.00 O ATOM 1202 CB ILE A 88 -6.850 1.448 -1.383 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -6.814 2.417 -0.197 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.633 0.530 -1.372 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -6.910 1.736 1.148 1.00 0.00 C ATOM 0 H ILE A 88 -6.135 0.787 -3.979 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.885 2.786 -2.705 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.736 0.820 -1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.889 2.992 -0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.636 3.127 -0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.593 -0.009 -0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.708 -0.183 -2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.727 1.125 -1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.878 2.486 1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.847 1.183 1.210 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.074 1.047 1.267 1.00 0.00 H new ATOM 1216 N ASP A 89 -6.111 4.487 -2.602 1.00 0.00 N ATOM 1217 CA ASP A 89 -5.132 5.558 -2.675 1.00 0.00 C ATOM 1218 C ASP A 89 -4.242 5.553 -1.430 1.00 0.00 C ATOM 1219 O ASP A 89 -4.723 5.321 -0.318 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.861 6.888 -2.831 1.00 0.00 C ATOM 1221 CG ASP A 89 -4.916 8.048 -2.974 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -4.508 8.595 -1.939 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -4.580 8.416 -4.123 1.00 0.00 O ATOM 0 H ASP A 89 -7.053 4.798 -2.366 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.485 5.408 -3.539 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.510 6.842 -3.705 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.503 7.051 -1.965 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.948 5.812 -1.615 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.998 5.785 -0.505 1.00 0.00 C ATOM 1229 C LEU A 90 -1.486 7.168 -0.132 1.00 0.00 C ATOM 1230 O LEU A 90 -0.290 7.363 0.100 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.810 4.913 -0.860 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.149 3.536 -1.402 1.00 0.00 C ATOM 1233 CD1 LEU A 90 0.131 2.823 -1.760 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -1.958 2.738 -0.392 1.00 0.00 C ATOM 0 H LEU A 90 -2.535 6.042 -2.519 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.537 5.381 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.205 5.437 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.191 4.792 0.029 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.764 3.639 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.101 1.832 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.667 3.395 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.754 2.726 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.188 1.756 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.381 2.620 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.886 3.265 -0.171 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.379 8.124 -0.065 1.00 0.00 N ATOM 1246 CA ASN A 91 -2.004 9.488 0.311 1.00 0.00 C ATOM 1247 C ASN A 91 -1.852 9.611 1.820 1.00 0.00 C ATOM 1248 O ASN A 91 -1.615 10.695 2.353 1.00 0.00 O ATOM 1249 CB ASN A 91 -3.007 10.507 -0.224 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.536 11.112 -1.535 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -1.913 12.175 -1.552 1.00 0.00 O ATOM 1252 ND2 ASN A 91 -2.817 10.434 -2.636 1.00 0.00 N ATOM 0 H ASN A 91 -3.371 7.996 -0.263 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.038 9.706 -0.145 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.974 10.026 -0.370 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.152 11.298 0.512 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -2.515 10.788 -3.544 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.335 9.558 -2.577 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.998 8.483 2.503 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.859 8.433 3.950 1.00 0.00 C ATOM 1260 C ARG A 92 -0.449 8.006 4.332 1.00 0.00 C ATOM 1261 O ARG A 92 -0.060 8.085 5.491 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.859 7.450 4.558 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.298 7.924 4.532 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.137 7.129 5.514 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.798 7.446 6.898 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.576 7.164 7.941 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.737 6.542 7.762 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.183 7.502 9.162 1.00 0.00 N ATOM 0 H ARG A 92 -2.214 7.584 2.072 1.00 0.00 H new ATOM 0 HA ARG A 92 -2.057 9.432 4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.791 6.504 4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.573 7.252 5.591 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.342 8.984 4.782 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.705 7.816 3.526 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.193 7.337 5.342 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.989 6.063 5.339 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.909 7.913 7.077 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.035 6.279 6.823 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.330 6.328 8.564 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.290 7.975 9.298 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.774 7.289 9.965 1.00 0.00 H new ATOM 1279 N ILE A 93 0.315 7.541 3.356 1.00 0.00 N ATOM 1280 CA ILE A 93 1.675 7.093 3.612 1.00 0.00 C ATOM 1281 C ILE A 93 2.655 8.179 3.193 1.00 0.00 C ATOM 1282 O ILE A 93 2.830 8.445 2.004 1.00 0.00 O ATOM 1283 CB ILE A 93 1.978 5.767 2.875 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.828 4.775 3.085 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.285 5.156 3.370 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.508 4.524 4.546 1.00 0.00 C ATOM 0 H ILE A 93 0.018 7.464 2.383 1.00 0.00 H new ATOM 0 HA ILE A 93 1.784 6.904 4.680 1.00 0.00 H new ATOM 0 HB ILE A 93 2.079 5.983 1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.064 5.153 2.585 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.083 3.828 2.609 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.476 4.225 2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.104 5.852 3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.210 4.954 4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.315 3.813 4.621 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.387 4.117 5.046 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.222 5.462 5.022 1.00 0.00 H new ATOM 1297 N GLN A 94 3.277 8.810 4.177 1.00 0.00 N ATOM 1298 CA GLN A 94 4.211 9.898 3.931 1.00 0.00 C ATOM 1299 C GLN A 94 5.587 9.583 4.525 1.00 0.00 C ATOM 1300 O GLN A 94 5.691 8.881 5.531 1.00 0.00 O ATOM 1301 CB GLN A 94 3.655 11.181 4.556 1.00 0.00 C ATOM 1302 CG GLN A 94 4.439 12.433 4.209 1.00 0.00 C ATOM 1303 CD GLN A 94 4.585 12.624 2.715 1.00 0.00 C ATOM 1304 OE1 GLN A 94 5.576 12.220 2.118 1.00 0.00 O ATOM 1305 NE2 GLN A 94 3.574 13.194 2.096 1.00 0.00 N ATOM 0 H GLN A 94 3.150 8.584 5.163 1.00 0.00 H new ATOM 0 HA GLN A 94 4.330 10.027 2.855 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.622 11.311 4.232 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.637 11.066 5.640 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.939 13.302 4.637 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.428 12.378 4.664 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.766 13.517 2.629 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.598 13.313 1.083 1.00 0.00 H new ATOM 1312 N ASN A 95 6.639 10.084 3.890 1.00 0.00 N ATOM 1313 CA ASN A 95 7.991 9.875 4.386 1.00 0.00 C ATOM 1314 C ASN A 95 8.480 11.117 5.129 1.00 0.00 C ATOM 1315 O ASN A 95 8.477 12.230 4.600 1.00 0.00 O ATOM 1316 CB ASN A 95 8.965 9.489 3.257 1.00 0.00 C ATOM 1317 CG ASN A 95 9.161 10.566 2.200 1.00 0.00 C ATOM 1318 OD1 ASN A 95 8.252 11.324 1.876 1.00 0.00 O ATOM 1319 ND2 ASN A 95 10.364 10.631 1.647 1.00 0.00 N ATOM 0 H ASN A 95 6.582 10.636 3.034 1.00 0.00 H new ATOM 0 HA ASN A 95 7.963 9.037 5.083 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.933 9.247 3.696 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.600 8.584 2.772 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.558 11.328 0.927 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.096 9.985 1.941 1.00 0.00 H new ATOM 1325 N VAL A 96 8.864 10.915 6.379 1.00 0.00 N ATOM 1326 CA VAL A 96 9.353 11.991 7.226 1.00 0.00 C ATOM 1327 C VAL A 96 10.823 11.751 7.565 1.00 0.00 C ATOM 1328 O VAL A 96 11.160 10.778 8.238 1.00 0.00 O ATOM 1329 CB VAL A 96 8.525 12.093 8.528 1.00 0.00 C ATOM 1330 CG1 VAL A 96 9.020 13.233 9.405 1.00 0.00 C ATOM 1331 CG2 VAL A 96 7.045 12.262 8.214 1.00 0.00 C ATOM 0 H VAL A 96 8.846 10.003 6.834 1.00 0.00 H new ATOM 0 HA VAL A 96 9.251 12.930 6.682 1.00 0.00 H new ATOM 0 HB VAL A 96 8.655 11.162 9.080 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.419 13.281 10.313 1.00 0.00 H new ATOM 0 HG12 VAL A 96 10.064 13.062 9.669 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.932 14.174 8.862 1.00 0.00 H new ATOM 0 HG21 VAL A 96 6.481 12.332 9.144 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.898 13.172 7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.694 11.404 7.641 1.00 0.00 H new ATOM 1341 N ASN A 97 11.693 12.635 7.076 1.00 0.00 N ATOM 1342 CA ASN A 97 13.139 12.524 7.294 1.00 0.00 C ATOM 1343 C ASN A 97 13.657 11.188 6.777 1.00 0.00 C ATOM 1344 O ASN A 97 14.586 10.605 7.335 1.00 0.00 O ATOM 1345 CB ASN A 97 13.509 12.691 8.776 1.00 0.00 C ATOM 1346 CG ASN A 97 13.428 14.129 9.249 1.00 0.00 C ATOM 1347 OD1 ASN A 97 12.293 14.509 9.803 1.00 0.00 O flip ATOM 1348 ND2 ASN A 97 14.386 14.890 9.131 1.00 0.00 N flip ATOM 0 H ASN A 97 11.419 13.445 6.520 1.00 0.00 H new ATOM 0 HA ASN A 97 13.612 13.333 6.738 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.843 12.077 9.382 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.521 12.318 8.936 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.248 14.561 8.697 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.319 15.851 9.467 1.00 0.00 H new ATOM 1354 N GLY A 98 13.044 10.703 5.708 1.00 0.00 N ATOM 1355 CA GLY A 98 13.447 9.440 5.127 1.00 0.00 C ATOM 1356 C GLY A 98 12.715 8.256 5.726 1.00 0.00 C ATOM 1357 O GLY A 98 12.728 7.166 5.161 1.00 0.00 O ATOM 0 H GLY A 98 12.270 11.165 5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.267 9.466 4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.520 9.307 5.268 1.00 0.00 H new ATOM 1361 N ARG A 99 12.070 8.461 6.865 1.00 0.00 N ATOM 1362 CA ARG A 99 11.337 7.389 7.527 1.00 0.00 C ATOM 1363 C ARG A 99 9.916 7.321 6.991 1.00 0.00 C ATOM 1364 O ARG A 99 9.184 8.306 7.033 1.00 0.00 O ATOM 1365 CB ARG A 99 11.295 7.592 9.050 1.00 0.00 C ATOM 1366 CG ARG A 99 12.630 7.404 9.762 1.00 0.00 C ATOM 1367 CD ARG A 99 13.594 8.555 9.506 1.00 0.00 C ATOM 1368 NE ARG A 99 14.837 8.404 10.268 1.00 0.00 N ATOM 1369 CZ ARG A 99 16.039 8.236 9.714 1.00 0.00 C ATOM 1370 NH1 ARG A 99 16.177 8.262 8.394 1.00 0.00 N ATOM 1371 NH2 ARG A 99 17.106 8.069 10.485 1.00 0.00 N ATOM 0 H ARG A 99 12.039 9.358 7.350 1.00 0.00 H new ATOM 0 HA ARG A 99 11.858 6.455 7.318 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.928 8.597 9.257 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.573 6.895 9.475 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.457 7.311 10.834 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.087 6.471 9.431 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.824 8.606 8.442 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.115 9.497 9.775 1.00 0.00 H new ATOM 0 HE ARG A 99 14.779 8.429 11.286 1.00 0.00 H new ATOM 0 HH11 ARG A 99 15.362 8.411 7.799 1.00 0.00 H new ATOM 0 HH12 ARG A 99 17.098 8.133 7.975 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.007 8.069 11.500 1.00 0.00 H new ATOM 0 HH22 ARG A 99 18.025 7.940 10.062 1.00 0.00 H new ATOM 1382 N LEU A 100 9.529 6.165 6.478 1.00 0.00 N ATOM 1383 CA LEU A 100 8.184 5.994 5.949 1.00 0.00 C ATOM 1384 C LEU A 100 7.215 5.827 7.111 1.00 0.00 C ATOM 1385 O LEU A 100 7.302 4.852 7.861 1.00 0.00 O ATOM 1386 CB LEU A 100 8.121 4.779 5.019 1.00 0.00 C ATOM 1387 CG LEU A 100 7.126 4.905 3.869 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.544 6.028 2.945 1.00 0.00 C ATOM 1389 CD2 LEU A 100 7.017 3.596 3.103 1.00 0.00 C ATOM 0 H LEU A 100 10.121 5.336 6.416 1.00 0.00 H new ATOM 0 HA LEU A 100 7.908 6.874 5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.114 4.604 4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.863 3.900 5.610 1.00 0.00 H new ATOM 0 HG LEU A 100 6.144 5.136 4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.829 6.111 2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.571 6.965 3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.534 5.817 2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.302 3.710 2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.993 3.331 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.678 2.808 3.776 1.00 0.00 H new ATOM 1400 N VAL A 101 6.308 6.780 7.273 1.00 0.00 N ATOM 1401 CA VAL A 101 5.356 6.740 8.374 1.00 0.00 C ATOM 1402 C VAL A 101 3.918 6.772 7.869 1.00 0.00 C ATOM 1403 O VAL A 101 3.597 7.482 6.915 1.00 0.00 O ATOM 1404 CB VAL A 101 5.557 7.941 9.331 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.773 7.742 10.620 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.030 8.164 9.634 1.00 0.00 C ATOM 0 H VAL A 101 6.211 7.588 6.658 1.00 0.00 H new ATOM 0 HA VAL A 101 5.537 5.806 8.906 1.00 0.00 H new ATOM 0 HB VAL A 101 5.177 8.831 8.829 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.929 8.598 11.277 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.712 7.650 10.390 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.116 6.835 11.118 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.138 9.014 10.308 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.444 7.272 10.105 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.566 8.366 8.707 1.00 0.00 H new ATOM 1416 N PHE A 102 3.060 5.992 8.507 1.00 0.00 N ATOM 1417 CA PHE A 102 1.653 5.977 8.156 1.00 0.00 C ATOM 1418 C PHE A 102 0.951 7.112 8.890 1.00 0.00 C ATOM 1419 O PHE A 102 1.154 7.302 10.092 1.00 0.00 O ATOM 1420 CB PHE A 102 1.007 4.632 8.511 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.462 4.741 8.799 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.383 4.929 7.776 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -0.919 4.693 10.105 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.723 5.059 8.059 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.257 4.831 10.389 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.158 5.015 9.367 1.00 0.00 C ATOM 0 H PHE A 102 3.315 5.363 9.269 1.00 0.00 H new ATOM 0 HA PHE A 102 1.554 6.114 7.079 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.159 3.934 7.687 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.511 4.212 9.381 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.045 4.973 6.751 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.215 4.545 10.911 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.434 5.195 7.257 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.600 4.795 11.413 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.209 5.125 9.589 1.00 0.00 H new ATOM 1435 N GLN A 103 0.145 7.865 8.170 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.577 8.979 8.757 1.00 0.00 C ATOM 1437 C GLN A 103 -2.072 8.699 8.785 1.00 0.00 C ATOM 1438 O GLN A 103 -2.591 8.328 9.862 1.00 0.00 O ATOM 1439 CB GLN A 103 -0.298 10.264 7.972 1.00 0.00 C ATOM 1440 CG GLN A 103 -0.498 11.526 8.789 1.00 0.00 C ATOM 1441 CD GLN A 103 0.486 11.611 9.938 1.00 0.00 C ATOM 1442 OE1 GLN A 103 0.212 11.143 11.045 1.00 0.00 O ATOM 1443 NE2 GLN A 103 1.644 12.197 9.681 1.00 0.00 N ATOM 1444 OXT GLN A 103 -2.723 8.839 7.729 1.00 0.00 O ATOM 0 H GLN A 103 -0.028 7.727 7.174 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.231 9.107 9.783 1.00 0.00 H new ATOM 0 HB2 GLN A 103 0.727 10.239 7.601 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.952 10.297 7.100 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.383 12.398 8.146 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.516 11.550 9.179 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.831 12.571 8.751 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.350 12.274 10.413 1.00 0.00 H new TER 1451 GLN A 103