USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 0 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 110 THR OG1 : rot 170:sc= 1.18 USER MOD Set 1.2: A 139 TYR OH : rot 177:sc= 0.874 USER MOD Set 2.1: A 126 LYS NZ :NH3+ -157:sc= 0.111 (180deg=-0.703) USER MOD Set 2.2: A 128 ASN : amide:sc= -0.62 X(o=-0.51,f=-0.9) USER MOD Set 3.1: A 116 HIS : no HE2:sc= -2.2 X(o=-2.8,f=-2.5) USER MOD Set 3.2: A 119 LYS NZ :NH3+ -163:sc= -0.573 (180deg=0) USER MOD Set 4.1: A 109 ASN : amide:sc= 0.406 X(o=-0.26,f=-0.45) USER MOD Set 4.2: A 111 TYR OH : rot 4:sc= -0.667 USER MOD Set 5.1: A 90 SER OG : rot -109:sc= 0.472 USER MOD Set 5.2: A 97 CYS SG : rot 172:sc= 1.35 USER MOD Set 6.1: A 77 GLN : amide:sc= 1.31 K(o=-0.4,f=-3.6) USER MOD Set 6.2: A 91 GLN : amide:sc= -1.71! C(o=-0.4!,f=-3.6!) USER MOD Set 7.1: A 52 SER OG : rot 6:sc= -0.04 USER MOD Set 7.2: A 54 GLN : amide:sc= 0.281 X(o=0.47,f=0.87) USER MOD Set 7.3: A 55 HIS : no HD1:sc= 0.232 K(o=0.47,f=-5.8!) USER MOD Set 8.1: A 30 CYS SG : rot 159:sc= -3.21! USER MOD Set 8.2: A 32 ASN : amide:sc= -2.95! C(o=-5.8!,f=-6.4!) USER MOD Set 8.3: A 127 LYS NZ :NH3+ -168:sc= 0.393 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -2.19! C(o=-2.2!,f=-3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.065 USER MOD Single : A 48 THR OG1 : rot -81:sc= -2.03! USER MOD Single : A 57 GLN : amide:sc= -2.69 K(o=-2.7,f=-4.3!) USER MOD Single : A 59 GLN : amide:sc= -0.438 K(o=-0.44,f=-2.3) USER MOD Single : A 61 SER OG : rot -170:sc= 0 USER MOD Single : A 64 SER OG : rot -45:sc= 1.55 USER MOD Single : A 69 TYR OH : rot -39:sc= 1.28 USER MOD Single : A 71 LYS NZ :NH3+ 155:sc= -0.0668 (180deg=-0.591) USER MOD Single : A 72 SER OG : rot 107:sc= 0.0805 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 75 THR OG1 : rot -163:sc= 0.601 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -135:sc= -1.47 (180deg=-2.32!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0349 USER MOD Single : A 88 TYR OH : rot -10:sc= 0.258 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.645 K(o=-0.65,f=-4.8!) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.337 K(o=-0.34,f=-2.2) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 84:sc= 0.405 USER MOD Single : A 114 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.079) USER MOD Single : A 115 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0555) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 SER OG : rot -88:sc= 0.0016 USER MOD Single : A 131 CYS SG : rot 140:sc= -2.18 USER MOD Single : A 132 LYS NZ :NH3+ 136:sc= 0.00538 (180deg=-0.252) USER MOD Single : A 137 THR OG1 : rot 132:sc= 0.378 USER MOD Single : A 138 HIS : no HE2:sc= 0.133 K(o=0.13,f=-1.4) USER MOD Single : A 141 GLN : amide:sc= 0.933 K(o=0.93,f=-3!) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 SER OG : rot 180:sc= 0 USER MOD Single : A 153 SER OG : rot 165:sc= 1.35 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 28 -3.253 6.461 1.264 1.00 0.00 N ATOM 2 CA LEU A 28 -4.194 7.085 2.208 1.00 0.00 C ATOM 3 C LEU A 28 -5.679 6.846 1.890 1.00 0.00 C ATOM 4 O LEU A 28 -6.066 6.608 0.749 1.00 0.00 O ATOM 5 CB LEU A 28 -3.890 8.588 2.338 1.00 0.00 C ATOM 6 CG LEU A 28 -4.106 9.335 1.014 1.00 0.00 C ATOM 7 CD1 LEU A 28 -5.126 10.437 1.234 1.00 0.00 C ATOM 8 CD2 LEU A 28 -2.781 9.888 0.473 1.00 0.00 C ATOM 0 HA LEU A 28 -4.032 6.588 3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.529 9.022 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.859 8.722 2.666 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.488 8.645 0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.288 10.975 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.067 10.000 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.757 11.128 1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.962 10.412 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.352 10.579 1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.087 9.066 0.301 1.00 0.00 H new ATOM 9 N TYR A 29 -6.441 6.717 2.977 1.00 0.00 N ATOM 10 CA TYR A 29 -7.903 6.497 2.967 1.00 0.00 C ATOM 11 C TYR A 29 -8.367 5.358 2.041 1.00 0.00 C ATOM 12 O TYR A 29 -8.530 5.490 0.832 1.00 0.00 O ATOM 13 CB TYR A 29 -8.666 7.807 2.764 1.00 0.00 C ATOM 14 CG TYR A 29 -10.177 7.579 2.908 1.00 0.00 C ATOM 15 CD1 TYR A 29 -10.746 7.442 4.197 1.00 0.00 C ATOM 16 CD2 TYR A 29 -10.926 7.369 1.732 1.00 0.00 C ATOM 17 CE1 TYR A 29 -12.100 7.059 4.304 1.00 0.00 C ATOM 18 CE2 TYR A 29 -12.266 6.961 1.846 1.00 0.00 C ATOM 19 CZ TYR A 29 -12.840 6.822 3.126 1.00 0.00 C ATOM 20 OH TYR A 29 -14.189 6.660 3.189 1.00 0.00 O ATOM 0 H TYR A 29 -6.055 6.763 3.920 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.161 6.134 3.962 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.333 8.545 3.494 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.446 8.213 1.777 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.155 7.627 5.082 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.478 7.519 0.761 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -12.563 6.949 5.273 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -12.850 6.756 0.961 1.00 0.00 H new ATOM 0 HH TYR A 29 -14.542 6.507 2.288 1.00 0.00 H new ATOM 21 N CYS A 30 -8.947 4.430 2.782 1.00 0.00 N ATOM 22 CA CYS A 30 -9.431 3.141 2.271 1.00 0.00 C ATOM 23 C CYS A 30 -10.915 2.909 2.567 1.00 0.00 C ATOM 24 O CYS A 30 -11.395 3.281 3.644 1.00 0.00 O ATOM 25 CB CYS A 30 -8.602 1.989 2.849 1.00 0.00 C ATOM 26 SG CYS A 30 -8.503 1.983 4.680 1.00 0.00 S ATOM 0 H CYS A 30 -9.103 4.547 3.783 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.314 3.171 1.188 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.031 1.044 2.516 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.592 2.042 2.441 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.192 0.791 5.094 1.00 0.00 H new ATOM 27 N SER A 31 -11.539 2.171 1.660 1.00 0.00 N ATOM 28 CA SER A 31 -12.941 1.674 1.782 1.00 0.00 C ATOM 29 C SER A 31 -13.142 0.543 2.809 1.00 0.00 C ATOM 30 O SER A 31 -14.137 -0.191 2.806 1.00 0.00 O ATOM 31 CB SER A 31 -13.399 1.174 0.421 1.00 0.00 C ATOM 32 OG SER A 31 -13.285 2.235 -0.523 1.00 0.00 O ATOM 0 H SER A 31 -11.091 1.883 0.790 1.00 0.00 H new ATOM 0 HA SER A 31 -13.529 2.519 2.141 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.792 0.324 0.108 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.431 0.827 0.475 1.00 0.00 H new ATOM 0 HG SER A 31 -13.577 1.921 -1.404 1.00 0.00 H new ATOM 33 N ASN A 32 -12.247 0.534 3.785 1.00 0.00 N ATOM 34 CA ASN A 32 -12.096 -0.486 4.840 1.00 0.00 C ATOM 35 C ASN A 32 -12.311 0.197 6.206 1.00 0.00 C ATOM 36 O ASN A 32 -13.073 1.159 6.320 1.00 0.00 O ATOM 37 CB ASN A 32 -10.659 -0.929 4.590 1.00 0.00 C ATOM 38 CG ASN A 32 -10.148 -2.067 5.467 1.00 0.00 C ATOM 39 OD1 ASN A 32 -10.662 -3.176 5.486 1.00 0.00 O ATOM 40 ND2 ASN A 32 -9.170 -1.712 6.263 1.00 0.00 N ATOM 0 H ASN A 32 -11.558 1.281 3.877 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.793 -1.324 4.834 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.570 -1.232 3.547 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.005 -0.068 4.729 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.799 -2.376 6.943 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.779 -0.772 6.203 1.00 0.00 H new ATOM 41 N GLY A 33 -11.648 -0.335 7.236 1.00 0.00 N ATOM 42 CA GLY A 33 -11.337 0.427 8.464 1.00 0.00 C ATOM 43 C GLY A 33 -10.358 1.510 8.002 1.00 0.00 C ATOM 44 O GLY A 33 -9.249 1.178 7.594 1.00 0.00 O ATOM 0 H GLY A 33 -11.311 -1.298 7.250 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.236 0.863 8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.892 -0.212 9.226 1.00 0.00 H new ATOM 45 N GLY A 34 -10.996 2.609 7.600 1.00 0.00 N ATOM 46 CA GLY A 34 -10.394 3.822 7.010 1.00 0.00 C ATOM 47 C GLY A 34 -9.263 4.460 7.823 1.00 0.00 C ATOM 48 O GLY A 34 -9.455 5.445 8.515 1.00 0.00 O ATOM 0 H GLY A 34 -12.010 2.689 7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.010 3.572 6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.180 4.564 6.869 1.00 0.00 H new ATOM 49 N HIS A 35 -8.073 3.933 7.567 1.00 0.00 N ATOM 50 CA HIS A 35 -6.810 4.469 8.120 1.00 0.00 C ATOM 51 C HIS A 35 -6.045 5.168 6.975 1.00 0.00 C ATOM 52 O HIS A 35 -6.584 5.377 5.887 1.00 0.00 O ATOM 53 CB HIS A 35 -6.033 3.290 8.724 1.00 0.00 C ATOM 54 CG HIS A 35 -6.755 2.604 9.887 1.00 0.00 C ATOM 55 ND1 HIS A 35 -7.600 1.581 9.767 1.00 0.00 N ATOM 56 CD2 HIS A 35 -6.590 2.820 11.188 1.00 0.00 C ATOM 57 CE1 HIS A 35 -7.954 1.176 10.965 1.00 0.00 C ATOM 58 NE2 HIS A 35 -7.333 1.944 11.856 1.00 0.00 N ATOM 0 H HIS A 35 -7.943 3.117 6.968 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.971 5.207 8.906 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.842 2.554 7.943 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.063 3.646 9.070 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -7.920 1.177 8.887 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.959 3.579 11.628 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.630 0.363 11.187 1.00 0.00 H new ATOM 59 N PHE A 36 -4.736 5.398 7.143 1.00 0.00 N ATOM 60 CA PHE A 36 -3.943 6.132 6.131 1.00 0.00 C ATOM 61 C PHE A 36 -2.658 5.345 5.885 1.00 0.00 C ATOM 62 O PHE A 36 -2.047 4.844 6.835 1.00 0.00 O ATOM 63 CB PHE A 36 -3.629 7.568 6.544 1.00 0.00 C ATOM 64 CG PHE A 36 -4.877 8.428 6.776 1.00 0.00 C ATOM 65 CD1 PHE A 36 -5.616 8.936 5.679 1.00 0.00 C ATOM 66 CD2 PHE A 36 -5.273 8.714 8.104 1.00 0.00 C ATOM 67 CE1 PHE A 36 -6.758 9.734 5.913 1.00 0.00 C ATOM 68 CE2 PHE A 36 -6.405 9.516 8.331 1.00 0.00 C ATOM 69 CZ PHE A 36 -7.138 10.026 7.242 1.00 0.00 C ATOM 0 H PHE A 36 -4.203 5.093 7.958 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.532 6.213 5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.034 7.552 7.457 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.016 8.033 5.772 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.307 8.714 4.668 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.710 8.319 8.937 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.335 10.117 5.084 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.713 9.741 9.341 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.002 10.648 7.425 1.00 0.00 H new ATOM 70 N LEU A 37 -2.286 5.251 4.610 1.00 0.00 N ATOM 71 CA LEU A 37 -1.136 4.424 4.207 1.00 0.00 C ATOM 72 C LEU A 37 0.164 5.219 4.374 1.00 0.00 C ATOM 73 O LEU A 37 0.522 6.052 3.541 1.00 0.00 O ATOM 74 CB LEU A 37 -1.384 3.885 2.801 1.00 0.00 C ATOM 75 CG LEU A 37 -0.361 2.822 2.354 1.00 0.00 C ATOM 76 CD1 LEU A 37 -0.226 1.658 3.325 1.00 0.00 C ATOM 77 CD2 LEU A 37 -0.809 2.296 0.993 1.00 0.00 C ATOM 0 H LEU A 37 -2.755 5.729 3.841 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.022 3.553 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.384 3.454 2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.364 4.715 2.095 1.00 0.00 H new ATOM 0 HG LEU A 37 0.620 3.296 2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.511 0.950 2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.097 2.031 4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.189 1.158 3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.105 1.539 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.802 1.855 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.840 3.118 0.278 1.00 0.00 H new ATOM 78 N ARG A 38 0.761 4.960 5.529 1.00 0.00 N ATOM 79 CA ARG A 38 1.889 5.734 6.066 1.00 0.00 C ATOM 80 C ARG A 38 3.169 5.686 5.206 1.00 0.00 C ATOM 81 O ARG A 38 3.343 6.526 4.335 1.00 0.00 O ATOM 82 CB ARG A 38 2.127 5.363 7.536 1.00 0.00 C ATOM 83 CG ARG A 38 3.282 6.158 8.172 1.00 0.00 C ATOM 84 CD ARG A 38 2.906 7.154 9.272 1.00 0.00 C ATOM 85 NE ARG A 38 2.545 6.461 10.515 1.00 0.00 N ATOM 86 CZ ARG A 38 1.408 6.496 11.201 1.00 0.00 C ATOM 87 NH1 ARG A 38 0.339 7.157 10.797 1.00 0.00 N ATOM 88 NH2 ARG A 38 1.281 5.805 12.327 1.00 0.00 N ATOM 0 H ARG A 38 0.475 4.192 6.137 1.00 0.00 H new ATOM 0 HA ARG A 38 1.604 6.785 6.020 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.214 5.541 8.103 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.343 4.297 7.607 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.997 5.447 8.586 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.796 6.703 7.381 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.743 7.828 9.458 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.070 7.769 8.939 1.00 0.00 H new ATOM 0 HE ARG A 38 3.274 5.866 10.909 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.361 7.674 9.918 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.509 7.150 11.364 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.059 5.242 12.671 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.405 5.837 12.849 1.00 0.00 H new ATOM 89 N ILE A 39 3.835 4.526 5.299 1.00 0.00 N ATOM 90 CA ILE A 39 5.255 4.321 4.920 1.00 0.00 C ATOM 91 C ILE A 39 6.126 5.234 5.803 1.00 0.00 C ATOM 92 O ILE A 39 6.393 6.391 5.489 1.00 0.00 O ATOM 93 CB ILE A 39 5.540 4.483 3.413 1.00 0.00 C ATOM 94 CG1 ILE A 39 4.607 3.662 2.504 1.00 0.00 C ATOM 95 CG2 ILE A 39 6.978 4.057 3.098 1.00 0.00 C ATOM 96 CD1 ILE A 39 3.326 4.378 2.072 1.00 0.00 C ATOM 0 H ILE A 39 3.395 3.675 5.649 1.00 0.00 H new ATOM 0 HA ILE A 39 5.513 3.278 5.105 1.00 0.00 H new ATOM 0 HB ILE A 39 5.370 5.539 3.204 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.160 3.370 1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.334 2.744 3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.167 4.176 2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.673 4.679 3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 39 7.117 3.013 3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.737 3.718 1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.744 4.646 2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.583 5.281 1.519 1.00 0.00 H new ATOM 97 N LEU A 40 6.493 4.651 6.939 1.00 0.00 N ATOM 98 CA LEU A 40 7.293 5.332 7.971 1.00 0.00 C ATOM 99 C LEU A 40 8.776 5.245 7.601 1.00 0.00 C ATOM 100 O LEU A 40 9.201 4.164 7.209 1.00 0.00 O ATOM 101 CB LEU A 40 7.108 4.649 9.339 1.00 0.00 C ATOM 102 CG LEU A 40 6.310 5.515 10.303 1.00 0.00 C ATOM 103 CD1 LEU A 40 5.118 4.716 10.814 1.00 0.00 C ATOM 104 CD2 LEU A 40 7.168 5.963 11.485 1.00 0.00 C ATOM 0 H LEU A 40 6.247 3.690 7.178 1.00 0.00 H new ATOM 0 HA LEU A 40 6.964 6.369 8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.599 3.695 9.202 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.085 4.431 9.771 1.00 0.00 H new ATOM 0 HG LEU A 40 5.972 6.406 9.773 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.539 5.328 11.506 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.488 4.424 9.974 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.472 3.823 11.329 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.570 6.580 12.156 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.531 5.088 12.024 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.017 6.542 11.120 1.00 0.00 H new ATOM 105 N PRO A 41 9.563 6.260 8.001 1.00 0.00 N ATOM 106 CA PRO A 41 11.035 6.281 7.848 1.00 0.00 C ATOM 107 C PRO A 41 11.740 5.027 8.404 1.00 0.00 C ATOM 108 O PRO A 41 12.650 4.509 7.762 1.00 0.00 O ATOM 109 CB PRO A 41 11.506 7.558 8.539 1.00 0.00 C ATOM 110 CG PRO A 41 10.346 7.951 9.451 1.00 0.00 C ATOM 111 CD PRO A 41 9.110 7.493 8.673 1.00 0.00 C ATOM 0 HA PRO A 41 11.299 6.270 6.791 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.419 7.387 9.110 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.725 8.343 7.815 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.414 7.460 10.422 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.328 9.025 9.638 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.266 7.302 9.336 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.786 8.246 7.954 1.00 0.00 H new ATOM 112 N ASP A 42 11.114 4.395 9.398 1.00 0.00 N ATOM 113 CA ASP A 42 11.600 3.154 10.034 1.00 0.00 C ATOM 114 C ASP A 42 11.343 1.865 9.206 1.00 0.00 C ATOM 115 O ASP A 42 11.449 0.760 9.726 1.00 0.00 O ATOM 116 CB ASP A 42 10.930 3.076 11.402 1.00 0.00 C ATOM 117 CG ASP A 42 11.517 1.950 12.264 1.00 0.00 C ATOM 118 OD1 ASP A 42 12.734 2.033 12.519 1.00 0.00 O ATOM 119 OD2 ASP A 42 10.747 1.018 12.586 1.00 0.00 O ATOM 0 H ASP A 42 10.238 4.732 9.796 1.00 0.00 H new ATOM 0 HA ASP A 42 12.686 3.201 10.112 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.049 4.028 11.919 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.860 2.914 11.273 1.00 0.00 H new ATOM 120 N GLY A 43 10.955 2.035 7.943 1.00 0.00 N ATOM 121 CA GLY A 43 10.602 0.926 7.024 1.00 0.00 C ATOM 122 C GLY A 43 9.298 0.214 7.399 1.00 0.00 C ATOM 123 O GLY A 43 8.948 -0.778 6.759 1.00 0.00 O ATOM 0 H GLY A 43 10.872 2.956 7.512 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.514 1.318 6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.414 0.199 7.015 1.00 0.00 H new ATOM 124 N THR A 44 8.423 0.929 8.103 1.00 0.00 N ATOM 125 CA THR A 44 7.211 0.329 8.688 1.00 0.00 C ATOM 126 C THR A 44 6.000 0.909 7.969 1.00 0.00 C ATOM 127 O THR A 44 5.715 2.102 8.044 1.00 0.00 O ATOM 128 CB THR A 44 7.031 0.630 10.186 1.00 0.00 C ATOM 129 OG1 THR A 44 8.249 1.082 10.772 1.00 0.00 O ATOM 130 CG2 THR A 44 6.485 -0.614 10.890 1.00 0.00 C ATOM 0 H THR A 44 8.525 1.927 8.286 1.00 0.00 H new ATOM 0 HA THR A 44 7.309 -0.750 8.573 1.00 0.00 H new ATOM 0 HB THR A 44 6.311 1.440 10.306 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.105 1.267 11.724 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.356 -0.404 11.952 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.523 -0.886 10.455 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.186 -1.439 10.766 1.00 0.00 H new ATOM 131 N VAL A 45 5.396 0.086 7.125 1.00 0.00 N ATOM 132 CA VAL A 45 4.225 0.553 6.365 1.00 0.00 C ATOM 133 C VAL A 45 2.926 0.233 7.100 1.00 0.00 C ATOM 134 O VAL A 45 2.414 -0.883 7.107 1.00 0.00 O ATOM 135 CB VAL A 45 4.278 0.027 4.930 1.00 0.00 C ATOM 136 CG1 VAL A 45 3.115 0.582 4.113 1.00 0.00 C ATOM 137 CG2 VAL A 45 5.568 0.478 4.225 1.00 0.00 C ATOM 0 H VAL A 45 5.677 -0.878 6.946 1.00 0.00 H new ATOM 0 HA VAL A 45 4.251 1.640 6.291 1.00 0.00 H new ATOM 0 HB VAL A 45 4.232 -1.060 4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.169 0.197 3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.173 0.276 4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.171 1.670 4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.580 0.090 3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.607 1.567 4.199 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.432 0.097 4.769 1.00 0.00 H new ATOM 138 N ASP A 46 2.389 1.291 7.690 1.00 0.00 N ATOM 139 CA ASP A 46 1.207 1.140 8.548 1.00 0.00 C ATOM 140 C ASP A 46 -0.008 1.948 8.091 1.00 0.00 C ATOM 141 O ASP A 46 0.092 2.793 7.195 1.00 0.00 O ATOM 142 CB ASP A 46 1.521 1.536 9.997 1.00 0.00 C ATOM 143 CG ASP A 46 2.724 0.787 10.582 1.00 0.00 C ATOM 144 OD1 ASP A 46 2.690 -0.456 10.543 1.00 0.00 O ATOM 145 OD2 ASP A 46 3.677 1.493 10.967 1.00 0.00 O ATOM 0 H ASP A 46 2.738 2.245 7.599 1.00 0.00 H new ATOM 0 HA ASP A 46 0.951 0.083 8.475 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.713 2.608 10.040 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.645 1.344 10.617 1.00 0.00 H new ATOM 146 N GLY A 47 -1.129 1.380 8.479 1.00 0.00 N ATOM 147 CA GLY A 47 -2.388 2.110 8.669 1.00 0.00 C ATOM 148 C GLY A 47 -2.353 2.590 10.127 1.00 0.00 C ATOM 149 O GLY A 47 -1.655 2.040 10.981 1.00 0.00 O ATOM 0 H GLY A 47 -1.205 0.382 8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.465 2.950 7.979 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.249 1.467 8.486 1.00 0.00 H new ATOM 150 N THR A 48 -3.316 3.431 10.455 1.00 0.00 N ATOM 151 CA THR A 48 -3.119 4.298 11.616 1.00 0.00 C ATOM 152 C THR A 48 -4.229 4.442 12.662 1.00 0.00 C ATOM 153 O THR A 48 -5.193 5.174 12.491 1.00 0.00 O ATOM 154 CB THR A 48 -2.584 5.664 11.162 1.00 0.00 C ATOM 155 OG1 THR A 48 -2.517 6.540 12.286 1.00 0.00 O ATOM 156 CG2 THR A 48 -3.418 6.311 10.065 1.00 0.00 C ATOM 0 H THR A 48 -4.204 3.536 9.965 1.00 0.00 H new ATOM 0 HA THR A 48 -2.387 3.738 12.199 1.00 0.00 H new ATOM 0 HB THR A 48 -1.595 5.490 10.739 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.405 6.916 12.461 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.981 7.272 9.795 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.435 5.661 9.190 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.436 6.463 10.424 1.00 0.00 H new ATOM 157 N ARG A 49 -3.947 3.786 13.769 1.00 0.00 N ATOM 158 CA ARG A 49 -4.669 3.977 15.049 1.00 0.00 C ATOM 159 C ARG A 49 -4.381 5.393 15.580 1.00 0.00 C ATOM 160 O ARG A 49 -5.259 6.076 16.098 1.00 0.00 O ATOM 161 CB ARG A 49 -4.187 2.936 16.073 1.00 0.00 C ATOM 162 CG ARG A 49 -4.142 1.493 15.524 1.00 0.00 C ATOM 163 CD ARG A 49 -2.714 0.961 15.356 1.00 0.00 C ATOM 164 NE ARG A 49 -1.911 1.734 14.390 1.00 0.00 N ATOM 165 CZ ARG A 49 -1.053 2.726 14.664 1.00 0.00 C ATOM 166 NH1 ARG A 49 -0.641 3.028 15.898 1.00 0.00 N ATOM 167 NH2 ARG A 49 -0.465 3.345 13.661 1.00 0.00 N ATOM 0 H ARG A 49 -3.202 3.091 13.825 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.740 3.853 14.889 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.191 3.214 16.418 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.845 2.964 16.942 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.692 0.836 16.198 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.652 1.460 14.561 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.214 0.972 16.324 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.757 -0.079 15.032 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.021 1.487 13.407 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.982 2.491 16.695 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.014 3.796 16.043 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.667 3.066 12.701 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.192 4.103 13.844 1.00 0.00 H new ATOM 168 N ASP A 50 -3.157 5.864 15.325 1.00 0.00 N ATOM 169 CA ASP A 50 -2.659 7.190 15.747 1.00 0.00 C ATOM 170 C ASP A 50 -1.559 7.661 14.788 1.00 0.00 C ATOM 171 O ASP A 50 -0.472 7.069 14.721 1.00 0.00 O ATOM 172 CB ASP A 50 -2.141 7.058 17.185 1.00 0.00 C ATOM 173 CG ASP A 50 -1.685 8.386 17.791 1.00 0.00 C ATOM 174 OD1 ASP A 50 -2.221 9.438 17.368 1.00 0.00 O ATOM 175 OD2 ASP A 50 -0.771 8.328 18.643 1.00 0.00 O ATOM 0 H ASP A 50 -2.463 5.326 14.807 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.452 7.937 15.718 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.927 6.634 17.809 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.308 6.355 17.200 1.00 0.00 H new ATOM 176 N ARG A 51 -1.812 8.808 14.187 1.00 0.00 N ATOM 177 CA ARG A 51 -0.956 9.342 13.110 1.00 0.00 C ATOM 178 C ARG A 51 0.311 9.991 13.663 1.00 0.00 C ATOM 179 O ARG A 51 0.257 10.828 14.559 1.00 0.00 O ATOM 180 CB ARG A 51 -1.737 10.321 12.219 1.00 0.00 C ATOM 181 CG ARG A 51 -2.842 9.624 11.425 1.00 0.00 C ATOM 182 CD ARG A 51 -4.218 10.165 11.822 1.00 0.00 C ATOM 183 NE ARG A 51 -5.253 9.241 11.337 1.00 0.00 N ATOM 184 CZ ARG A 51 -5.997 8.436 12.090 1.00 0.00 C ATOM 185 NH1 ARG A 51 -5.933 8.460 13.420 1.00 0.00 N ATOM 186 NH2 ARG A 51 -6.911 7.645 11.539 1.00 0.00 N ATOM 0 H ARG A 51 -2.607 9.403 14.419 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.645 8.499 12.493 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.175 11.103 12.839 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.049 10.809 11.529 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.680 9.775 10.358 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.803 8.550 11.604 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.284 10.269 12.905 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.370 11.157 11.397 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.416 9.215 10.330 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.300 9.109 13.889 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.517 7.830 13.970 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.048 7.651 10.528 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.476 7.032 12.127 1.00 0.00 H new ATOM 187 N SER A 52 1.413 9.628 13.013 1.00 0.00 N ATOM 188 CA SER A 52 2.737 10.258 13.218 1.00 0.00 C ATOM 189 C SER A 52 2.772 11.787 13.012 1.00 0.00 C ATOM 190 O SER A 52 3.798 12.435 13.215 1.00 0.00 O ATOM 191 CB SER A 52 3.731 9.662 12.222 1.00 0.00 C ATOM 192 OG SER A 52 3.249 9.773 10.874 1.00 0.00 O ATOM 0 H SER A 52 1.424 8.881 12.319 1.00 0.00 H new ATOM 0 HA SER A 52 2.987 10.060 14.260 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.689 10.174 12.311 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.906 8.613 12.463 1.00 0.00 H new ATOM 0 HG SER A 52 2.420 10.295 10.865 1.00 0.00 H new ATOM 193 N ASP A 53 1.698 12.246 12.371 1.00 0.00 N ATOM 194 CA ASP A 53 1.417 13.611 11.881 1.00 0.00 C ATOM 195 C ASP A 53 2.135 13.958 10.566 1.00 0.00 C ATOM 196 O ASP A 53 1.585 14.684 9.740 1.00 0.00 O ATOM 197 CB ASP A 53 1.654 14.674 12.969 1.00 0.00 C ATOM 198 CG ASP A 53 1.159 16.068 12.576 1.00 0.00 C ATOM 199 OD1 ASP A 53 -0.073 16.281 12.651 1.00 0.00 O ATOM 200 OD2 ASP A 53 2.020 16.884 12.192 1.00 0.00 O ATOM 0 H ASP A 53 0.924 11.618 12.157 1.00 0.00 H new ATOM 0 HA ASP A 53 0.354 13.621 11.641 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.152 14.363 13.885 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.720 14.724 13.191 1.00 0.00 H new ATOM 201 N GLN A 54 3.198 13.216 10.288 1.00 0.00 N ATOM 202 CA GLN A 54 4.080 13.499 9.155 1.00 0.00 C ATOM 203 C GLN A 54 4.063 12.437 8.045 1.00 0.00 C ATOM 204 O GLN A 54 3.567 12.698 6.956 1.00 0.00 O ATOM 205 CB GLN A 54 5.496 13.782 9.678 1.00 0.00 C ATOM 206 CG GLN A 54 6.410 14.152 8.509 1.00 0.00 C ATOM 207 CD GLN A 54 7.840 14.510 8.925 1.00 0.00 C ATOM 208 OE1 GLN A 54 8.524 13.862 9.697 1.00 0.00 O ATOM 209 NE2 GLN A 54 8.288 15.568 8.319 1.00 0.00 N ATOM 0 H GLN A 54 3.476 12.403 10.837 1.00 0.00 H new ATOM 0 HA GLN A 54 3.689 14.387 8.658 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.471 14.594 10.404 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.886 12.905 10.194 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.444 13.317 7.810 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.976 14.997 7.975 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.684 16.084 7.679 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.244 15.883 8.483 1.00 0.00 H new ATOM 210 N HIS A 55 4.405 11.209 8.398 1.00 0.00 N ATOM 211 CA HIS A 55 4.782 10.164 7.427 1.00 0.00 C ATOM 212 C HIS A 55 3.610 9.557 6.623 1.00 0.00 C ATOM 213 O HIS A 55 3.827 8.745 5.738 1.00 0.00 O ATOM 214 CB HIS A 55 5.608 9.115 8.192 1.00 0.00 C ATOM 215 CG HIS A 55 6.638 9.752 9.131 1.00 0.00 C ATOM 216 ND1 HIS A 55 6.529 9.769 10.455 1.00 0.00 N ATOM 217 CD2 HIS A 55 7.593 10.627 8.808 1.00 0.00 C ATOM 218 CE1 HIS A 55 7.385 10.661 10.953 1.00 0.00 C ATOM 219 NE2 HIS A 55 8.021 11.193 9.922 1.00 0.00 N ATOM 0 H HIS A 55 4.433 10.895 9.368 1.00 0.00 H new ATOM 0 HA HIS A 55 5.377 10.620 6.636 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.937 8.480 8.771 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.121 8.470 7.479 1.00 0.00 H new ATOM 0 HD2 HIS A 55 7.952 10.835 7.811 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.531 10.903 11.995 1.00 0.00 H new ATOM 0 HE2 HIS A 55 8.730 11.924 9.979 1.00 0.00 H new ATOM 220 N ILE A 56 2.387 9.879 7.046 1.00 0.00 N ATOM 221 CA ILE A 56 1.100 9.473 6.425 1.00 0.00 C ATOM 222 C ILE A 56 0.670 10.182 5.151 1.00 0.00 C ATOM 223 O ILE A 56 -0.038 11.188 5.173 1.00 0.00 O ATOM 224 CB ILE A 56 -0.070 9.455 7.443 1.00 0.00 C ATOM 225 CG1 ILE A 56 0.006 10.522 8.562 1.00 0.00 C ATOM 226 CG2 ILE A 56 -0.335 8.059 7.980 1.00 0.00 C ATOM 227 CD1 ILE A 56 -0.789 11.789 8.231 1.00 0.00 C ATOM 0 H ILE A 56 2.247 10.460 7.873 1.00 0.00 H new ATOM 0 HA ILE A 56 1.337 8.461 6.097 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.941 9.757 6.861 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.371 10.095 9.491 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.049 10.788 8.734 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.162 8.093 8.689 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.592 7.394 7.155 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.558 7.687 8.482 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.698 12.500 9.052 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.396 12.237 7.318 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.839 11.533 8.087 1.00 0.00 H new ATOM 228 N GLN A 57 1.022 9.506 4.055 1.00 0.00 N ATOM 229 CA GLN A 57 0.554 9.810 2.687 1.00 0.00 C ATOM 230 C GLN A 57 1.117 8.814 1.670 1.00 0.00 C ATOM 231 O GLN A 57 2.209 8.260 1.833 1.00 0.00 O ATOM 232 CB GLN A 57 0.891 11.256 2.251 1.00 0.00 C ATOM 233 CG GLN A 57 2.382 11.547 2.048 1.00 0.00 C ATOM 234 CD GLN A 57 3.243 11.263 3.266 1.00 0.00 C ATOM 235 OE1 GLN A 57 3.111 11.851 4.318 1.00 0.00 O ATOM 236 NE2 GLN A 57 4.032 10.220 3.173 1.00 0.00 N ATOM 0 H GLN A 57 1.658 8.709 4.088 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.532 9.716 2.711 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.366 11.469 1.320 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.502 11.944 3.001 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.747 10.950 1.212 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.502 12.594 1.768 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.133 9.735 2.281 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.544 9.894 3.992 1.00 0.00 H new ATOM 237 N LEU A 58 0.422 8.763 0.538 1.00 0.00 N ATOM 238 CA LEU A 58 0.767 7.876 -0.574 1.00 0.00 C ATOM 239 C LEU A 58 0.590 8.599 -1.919 1.00 0.00 C ATOM 240 O LEU A 58 -0.445 9.222 -2.193 1.00 0.00 O ATOM 241 CB LEU A 58 0.014 6.558 -0.361 1.00 0.00 C ATOM 242 CG LEU A 58 -0.867 6.072 -1.546 1.00 0.00 C ATOM 243 CD1 LEU A 58 -0.050 5.542 -2.728 1.00 0.00 C ATOM 244 CD2 LEU A 58 -1.810 4.957 -1.102 1.00 0.00 C ATOM 0 H LEU A 58 -0.402 9.338 0.363 1.00 0.00 H new ATOM 0 HA LEU A 58 1.822 7.605 -0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.743 5.780 -0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.622 6.665 0.518 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.423 6.952 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.725 5.219 -3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.600 6.332 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.557 4.697 -2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.416 4.634 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.227 4.114 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.461 5.325 -0.310 1.00 0.00 H new ATOM 245 N GLN A 59 1.712 8.611 -2.615 1.00 0.00 N ATOM 246 CA GLN A 59 1.849 9.180 -3.967 1.00 0.00 C ATOM 247 C GLN A 59 2.649 8.191 -4.814 1.00 0.00 C ATOM 248 O GLN A 59 3.276 7.278 -4.281 1.00 0.00 O ATOM 249 CB GLN A 59 2.654 10.479 -3.800 1.00 0.00 C ATOM 250 CG GLN A 59 2.706 11.366 -5.046 1.00 0.00 C ATOM 251 CD GLN A 59 3.663 12.533 -4.785 1.00 0.00 C ATOM 252 OE1 GLN A 59 3.347 13.491 -4.103 1.00 0.00 O ATOM 253 NE2 GLN A 59 4.883 12.406 -5.265 1.00 0.00 N ATOM 0 H GLN A 59 2.583 8.218 -2.257 1.00 0.00 H new ATOM 0 HA GLN A 59 0.887 9.370 -4.443 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.224 11.054 -2.980 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.673 10.224 -3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.043 10.788 -5.906 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.710 11.741 -5.284 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.125 11.595 -5.834 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.585 13.119 -5.068 1.00 0.00 H new ATOM 254 N LEU A 60 2.552 8.335 -6.128 1.00 0.00 N ATOM 255 CA LEU A 60 3.249 7.418 -7.030 1.00 0.00 C ATOM 256 C LEU A 60 3.915 8.056 -8.244 1.00 0.00 C ATOM 257 O LEU A 60 3.403 8.947 -8.919 1.00 0.00 O ATOM 258 CB LEU A 60 2.483 6.166 -7.485 1.00 0.00 C ATOM 259 CG LEU A 60 0.978 6.254 -7.752 1.00 0.00 C ATOM 260 CD1 LEU A 60 0.253 6.159 -6.419 1.00 0.00 C ATOM 261 CD2 LEU A 60 0.533 7.443 -8.611 1.00 0.00 C ATOM 0 H LEU A 60 2.008 9.063 -6.591 1.00 0.00 H new ATOM 0 HA LEU A 60 4.026 7.085 -6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.956 5.809 -8.400 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.635 5.398 -6.727 1.00 0.00 H new ATOM 0 HG LEU A 60 0.700 5.410 -8.384 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.823 6.220 -6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.494 5.209 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.568 6.980 -5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.549 7.413 -8.741 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.814 8.374 -8.118 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.017 7.389 -9.586 1.00 0.00 H new ATOM 262 N SER A 61 5.104 7.512 -8.435 1.00 0.00 N ATOM 263 CA SER A 61 5.946 7.716 -9.624 1.00 0.00 C ATOM 264 C SER A 61 5.683 6.526 -10.550 1.00 0.00 C ATOM 265 O SER A 61 6.240 5.433 -10.447 1.00 0.00 O ATOM 266 CB SER A 61 7.405 7.703 -9.194 1.00 0.00 C ATOM 267 OG SER A 61 7.610 8.776 -8.270 1.00 0.00 O ATOM 0 H SER A 61 5.534 6.893 -7.748 1.00 0.00 H new ATOM 0 HA SER A 61 5.726 8.661 -10.121 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.656 6.749 -8.730 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.057 7.818 -10.060 1.00 0.00 H new ATOM 0 HG SER A 61 8.569 8.884 -8.102 1.00 0.00 H new ATOM 268 N ALA A 62 4.521 6.684 -11.163 1.00 0.00 N ATOM 269 CA ALA A 62 3.915 5.651 -12.016 1.00 0.00 C ATOM 270 C ALA A 62 4.818 5.210 -13.186 1.00 0.00 C ATOM 271 O ALA A 62 4.998 5.951 -14.151 1.00 0.00 O ATOM 272 CB ALA A 62 2.547 6.124 -12.504 1.00 0.00 C ATOM 0 H ALA A 62 3.962 7.534 -11.088 1.00 0.00 H new ATOM 0 HA ALA A 62 3.790 4.758 -11.404 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.101 5.356 -13.136 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.900 6.310 -11.647 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.663 7.043 -13.078 1.00 0.00 H new ATOM 273 N GLU A 63 5.278 3.960 -13.135 1.00 0.00 N ATOM 274 CA GLU A 63 6.256 3.424 -14.084 1.00 0.00 C ATOM 275 C GLU A 63 5.547 2.849 -15.328 1.00 0.00 C ATOM 276 O GLU A 63 5.684 1.701 -15.749 1.00 0.00 O ATOM 277 CB GLU A 63 7.155 2.431 -13.340 1.00 0.00 C ATOM 278 CG GLU A 63 8.376 1.996 -14.164 1.00 0.00 C ATOM 279 CD GLU A 63 9.282 3.150 -14.602 1.00 0.00 C ATOM 280 OE1 GLU A 63 9.938 3.743 -13.714 1.00 0.00 O ATOM 281 OE2 GLU A 63 9.269 3.431 -15.817 1.00 0.00 O ATOM 0 H GLU A 63 4.981 3.286 -12.430 1.00 0.00 H new ATOM 0 HA GLU A 63 6.904 4.208 -14.476 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.494 2.884 -12.408 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.571 1.550 -13.072 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.964 1.290 -13.577 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.031 1.463 -15.050 1.00 0.00 H new ATOM 282 N SER A 64 4.760 3.768 -15.877 1.00 0.00 N ATOM 283 CA SER A 64 3.942 3.656 -17.099 1.00 0.00 C ATOM 284 C SER A 64 2.720 2.719 -16.965 1.00 0.00 C ATOM 285 O SER A 64 2.033 2.731 -15.941 1.00 0.00 O ATOM 286 CB SER A 64 4.880 3.399 -18.290 1.00 0.00 C ATOM 287 OG SER A 64 5.234 2.022 -18.413 1.00 0.00 O ATOM 0 H SER A 64 4.664 4.690 -15.451 1.00 0.00 H new ATOM 0 HA SER A 64 3.435 4.602 -17.290 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.396 3.731 -19.209 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.785 3.995 -18.172 1.00 0.00 H new ATOM 0 HG SER A 64 5.469 1.665 -17.531 1.00 0.00 H new ATOM 288 N VAL A 65 2.575 1.810 -17.935 1.00 0.00 N ATOM 289 CA VAL A 65 1.421 0.935 -18.219 1.00 0.00 C ATOM 290 C VAL A 65 0.894 0.142 -17.006 1.00 0.00 C ATOM 291 O VAL A 65 1.392 -0.921 -16.640 1.00 0.00 O ATOM 292 CB VAL A 65 1.791 0.053 -19.432 1.00 0.00 C ATOM 293 CG1 VAL A 65 2.984 -0.874 -19.169 1.00 0.00 C ATOM 294 CG2 VAL A 65 0.579 -0.744 -19.934 1.00 0.00 C ATOM 0 H VAL A 65 3.328 1.650 -18.605 1.00 0.00 H new ATOM 0 HA VAL A 65 0.561 1.558 -18.464 1.00 0.00 H new ATOM 0 HB VAL A 65 2.104 0.742 -20.217 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.190 -1.465 -20.062 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.861 -0.277 -18.919 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.751 -1.541 -18.339 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.873 -1.354 -20.788 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.212 -1.389 -19.136 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.210 -0.055 -20.235 1.00 0.00 H new ATOM 295 N GLY A 66 -0.055 0.788 -16.338 1.00 0.00 N ATOM 296 CA GLY A 66 -0.724 0.253 -15.128 1.00 0.00 C ATOM 297 C GLY A 66 0.274 -0.122 -14.031 1.00 0.00 C ATOM 298 O GLY A 66 0.046 -1.065 -13.288 1.00 0.00 O ATOM 0 H GLY A 66 -0.395 1.709 -16.614 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.422 0.996 -14.743 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.311 -0.625 -15.398 1.00 0.00 H new ATOM 299 N GLU A 67 1.351 0.651 -13.920 1.00 0.00 N ATOM 300 CA GLU A 67 2.451 0.399 -12.985 1.00 0.00 C ATOM 301 C GLU A 67 2.700 1.616 -12.091 1.00 0.00 C ATOM 302 O GLU A 67 2.718 2.747 -12.575 1.00 0.00 O ATOM 303 CB GLU A 67 3.708 0.148 -13.805 1.00 0.00 C ATOM 304 CG GLU A 67 3.697 -1.188 -14.554 1.00 0.00 C ATOM 305 CD GLU A 67 5.018 -1.420 -15.299 1.00 0.00 C ATOM 306 OE1 GLU A 67 6.087 -1.215 -14.668 1.00 0.00 O ATOM 307 OE2 GLU A 67 4.945 -1.842 -16.466 1.00 0.00 O ATOM 0 H GLU A 67 1.489 1.487 -14.487 1.00 0.00 H new ATOM 0 HA GLU A 67 2.198 -0.454 -12.355 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.829 0.957 -14.525 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.574 0.177 -13.144 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.527 -2.001 -13.849 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.869 -1.203 -15.263 1.00 0.00 H new ATOM 308 N VAL A 68 3.029 1.351 -10.832 1.00 0.00 N ATOM 309 CA VAL A 68 3.378 2.397 -9.850 1.00 0.00 C ATOM 310 C VAL A 68 4.725 2.119 -9.167 1.00 0.00 C ATOM 311 O VAL A 68 4.970 1.004 -8.712 1.00 0.00 O ATOM 312 CB VAL A 68 2.335 2.642 -8.722 1.00 0.00 C ATOM 313 CG1 VAL A 68 0.885 2.522 -9.108 1.00 0.00 C ATOM 314 CG2 VAL A 68 2.349 1.625 -7.591 1.00 0.00 C ATOM 0 H VAL A 68 3.064 0.405 -10.452 1.00 0.00 H new ATOM 0 HA VAL A 68 3.414 3.294 -10.468 1.00 0.00 H new ATOM 0 HB VAL A 68 2.651 3.651 -8.457 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.259 2.715 -8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.655 3.248 -9.888 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.689 1.516 -9.480 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.586 1.886 -6.858 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.143 0.632 -7.992 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.328 1.627 -7.112 1.00 0.00 H new ATOM 315 N TYR A 69 5.356 3.216 -8.789 1.00 0.00 N ATOM 316 CA TYR A 69 6.421 3.226 -7.781 1.00 0.00 C ATOM 317 C TYR A 69 6.003 4.201 -6.687 1.00 0.00 C ATOM 318 O TYR A 69 5.982 5.413 -6.907 1.00 0.00 O ATOM 319 CB TYR A 69 7.741 3.691 -8.400 1.00 0.00 C ATOM 320 CG TYR A 69 8.518 2.640 -9.196 1.00 0.00 C ATOM 321 CD1 TYR A 69 8.577 1.319 -8.714 1.00 0.00 C ATOM 322 CD2 TYR A 69 9.396 3.090 -10.211 1.00 0.00 C ATOM 323 CE1 TYR A 69 9.542 0.434 -9.228 1.00 0.00 C ATOM 324 CE2 TYR A 69 10.364 2.213 -10.729 1.00 0.00 C ATOM 325 CZ TYR A 69 10.430 0.886 -10.227 1.00 0.00 C ATOM 326 OH TYR A 69 11.444 0.080 -10.618 1.00 0.00 O ATOM 0 H TYR A 69 5.148 4.138 -9.172 1.00 0.00 H new ATOM 0 HA TYR A 69 6.569 2.223 -7.381 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.533 4.535 -9.058 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.384 4.060 -7.601 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.885 0.987 -7.954 1.00 0.00 H new ATOM 0 HD2 TYR A 69 9.322 4.101 -10.585 1.00 0.00 H new ATOM 0 HE1 TYR A 69 9.603 -0.580 -8.862 1.00 0.00 H new ATOM 0 HE2 TYR A 69 11.048 2.543 -11.497 1.00 0.00 H new ATOM 0 HH TYR A 69 11.816 -0.381 -9.837 1.00 0.00 H new ATOM 327 N ILE A 70 5.521 3.659 -5.574 1.00 0.00 N ATOM 328 CA ILE A 70 4.893 4.504 -4.536 1.00 0.00 C ATOM 329 C ILE A 70 5.940 5.339 -3.764 1.00 0.00 C ATOM 330 O ILE A 70 6.449 4.935 -2.730 1.00 0.00 O ATOM 331 CB ILE A 70 3.909 3.681 -3.684 1.00 0.00 C ATOM 332 CG1 ILE A 70 2.807 3.201 -4.641 1.00 0.00 C ATOM 333 CG2 ILE A 70 3.294 4.498 -2.540 1.00 0.00 C ATOM 334 CD1 ILE A 70 1.899 2.102 -4.102 1.00 0.00 C ATOM 0 H ILE A 70 5.546 2.662 -5.359 1.00 0.00 H new ATOM 0 HA ILE A 70 4.270 5.265 -5.007 1.00 0.00 H new ATOM 0 HB ILE A 70 4.435 2.852 -3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.189 4.057 -4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.277 2.843 -5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.608 3.869 -1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.086 4.857 -1.883 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.750 5.348 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.158 1.839 -4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.496 1.224 -3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.392 2.457 -3.205 1.00 0.00 H new ATOM 335 N LYS A 71 5.968 6.598 -4.182 1.00 0.00 N ATOM 336 CA LYS A 71 6.940 7.582 -3.691 1.00 0.00 C ATOM 337 C LYS A 71 6.176 8.513 -2.761 1.00 0.00 C ATOM 338 O LYS A 71 5.513 9.469 -3.170 1.00 0.00 O ATOM 339 CB LYS A 71 7.551 8.358 -4.872 1.00 0.00 C ATOM 340 CG LYS A 71 8.844 9.066 -4.455 1.00 0.00 C ATOM 341 CD LYS A 71 9.108 10.324 -5.291 1.00 0.00 C ATOM 342 CE LYS A 71 8.245 11.507 -4.826 1.00 0.00 C ATOM 343 NZ LYS A 71 8.678 11.917 -3.481 1.00 0.00 N ATOM 0 H LYS A 71 5.318 6.972 -4.873 1.00 0.00 H new ATOM 0 HA LYS A 71 7.765 7.103 -3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.757 7.673 -5.694 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.833 9.091 -5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.784 9.338 -3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.683 8.379 -4.560 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.162 10.593 -5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.902 10.113 -6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.341 12.340 -5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.193 11.223 -4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.434 12.916 -3.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.200 11.330 -2.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.707 11.795 -3.396 1.00 0.00 H new ATOM 344 N SER A 72 5.973 7.899 -1.599 1.00 0.00 N ATOM 345 CA SER A 72 5.206 8.409 -0.446 1.00 0.00 C ATOM 346 C SER A 72 5.795 9.751 0.011 1.00 0.00 C ATOM 347 O SER A 72 6.768 9.799 0.758 1.00 0.00 O ATOM 348 CB SER A 72 5.356 7.335 0.644 1.00 0.00 C ATOM 349 OG SER A 72 5.286 6.018 0.074 1.00 0.00 O ATOM 0 H SER A 72 6.360 6.973 -1.417 1.00 0.00 H new ATOM 0 HA SER A 72 4.157 8.587 -0.682 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.308 7.463 1.159 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.571 7.456 1.390 1.00 0.00 H new ATOM 0 HG SER A 72 6.178 5.613 0.076 1.00 0.00 H new ATOM 350 N THR A 73 5.178 10.843 -0.415 1.00 0.00 N ATOM 351 CA THR A 73 5.685 12.238 -0.337 1.00 0.00 C ATOM 352 C THR A 73 6.622 12.632 0.816 1.00 0.00 C ATOM 353 O THR A 73 7.746 13.039 0.565 1.00 0.00 O ATOM 354 CB THR A 73 4.528 13.245 -0.433 1.00 0.00 C ATOM 355 OG1 THR A 73 3.312 12.577 -0.799 1.00 0.00 O ATOM 356 CG2 THR A 73 4.834 14.338 -1.460 1.00 0.00 C ATOM 0 H THR A 73 4.257 10.795 -0.852 1.00 0.00 H new ATOM 0 HA THR A 73 6.346 12.275 -1.203 1.00 0.00 H new ATOM 0 HB THR A 73 4.409 13.707 0.547 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.584 13.230 -0.855 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.999 15.037 -1.508 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.737 14.872 -1.165 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.984 13.885 -2.440 1.00 0.00 H new ATOM 357 N GLU A 74 6.164 12.496 2.068 1.00 0.00 N ATOM 358 CA GLU A 74 6.951 12.861 3.263 1.00 0.00 C ATOM 359 C GLU A 74 8.169 11.948 3.556 1.00 0.00 C ATOM 360 O GLU A 74 9.051 12.316 4.327 1.00 0.00 O ATOM 361 CB GLU A 74 6.042 12.961 4.489 1.00 0.00 C ATOM 362 CG GLU A 74 5.225 14.253 4.469 1.00 0.00 C ATOM 363 CD GLU A 74 6.030 15.536 4.652 1.00 0.00 C ATOM 364 OE1 GLU A 74 6.865 15.599 5.581 1.00 0.00 O ATOM 365 OE2 GLU A 74 5.760 16.476 3.871 1.00 0.00 O ATOM 0 H GLU A 74 5.237 12.130 2.285 1.00 0.00 H new ATOM 0 HA GLU A 74 7.383 13.835 3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.370 12.103 4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.645 12.923 5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.691 14.311 3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.473 14.200 5.256 1.00 0.00 H new ATOM 366 N THR A 75 8.132 10.747 2.991 1.00 0.00 N ATOM 367 CA THR A 75 9.175 9.712 3.167 1.00 0.00 C ATOM 368 C THR A 75 10.000 9.323 1.916 1.00 0.00 C ATOM 369 O THR A 75 11.157 8.941 2.054 1.00 0.00 O ATOM 370 CB THR A 75 8.568 8.471 3.825 1.00 0.00 C ATOM 371 OG1 THR A 75 7.220 8.232 3.382 1.00 0.00 O ATOM 372 CG2 THR A 75 8.619 8.648 5.341 1.00 0.00 C ATOM 0 H THR A 75 7.368 10.448 2.385 1.00 0.00 H new ATOM 0 HA THR A 75 9.915 10.184 3.814 1.00 0.00 H new ATOM 0 HB THR A 75 9.150 7.597 3.532 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.779 7.610 3.998 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.189 7.771 5.824 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.655 8.767 5.659 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.049 9.533 5.623 1.00 0.00 H new ATOM 373 N GLY A 76 9.373 9.363 0.735 1.00 0.00 N ATOM 374 CA GLY A 76 9.974 8.959 -0.559 1.00 0.00 C ATOM 375 C GLY A 76 10.025 7.436 -0.747 1.00 0.00 C ATOM 376 O GLY A 76 9.732 6.937 -1.829 1.00 0.00 O ATOM 0 H GLY A 76 8.409 9.684 0.641 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.400 9.401 -1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.985 9.362 -0.626 1.00 0.00 H new ATOM 377 N GLN A 77 10.408 6.756 0.336 1.00 0.00 N ATOM 378 CA GLN A 77 10.457 5.288 0.464 1.00 0.00 C ATOM 379 C GLN A 77 9.262 4.616 -0.216 1.00 0.00 C ATOM 380 O GLN A 77 8.092 4.879 0.086 1.00 0.00 O ATOM 381 CB GLN A 77 10.436 4.874 1.930 1.00 0.00 C ATOM 382 CG GLN A 77 11.608 5.406 2.747 1.00 0.00 C ATOM 383 CD GLN A 77 11.420 5.106 4.228 1.00 0.00 C ATOM 384 OE1 GLN A 77 10.361 5.292 4.823 1.00 0.00 O ATOM 385 NE2 GLN A 77 12.454 4.568 4.837 1.00 0.00 N ATOM 0 H GLN A 77 10.707 7.230 1.189 1.00 0.00 H new ATOM 0 HA GLN A 77 11.382 4.970 -0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.506 5.221 2.381 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.431 3.786 1.988 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.536 4.955 2.396 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.701 6.482 2.599 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.326 4.421 4.328 1.00 0.00 H new ATOM 0 HE22 GLN A 77 12.384 4.298 5.818 1.00 0.00 H new ATOM 386 N TYR A 78 9.619 3.734 -1.144 1.00 0.00 N ATOM 387 CA TYR A 78 8.648 2.985 -1.944 1.00 0.00 C ATOM 388 C TYR A 78 7.980 1.911 -1.083 1.00 0.00 C ATOM 389 O TYR A 78 8.635 1.172 -0.360 1.00 0.00 O ATOM 390 CB TYR A 78 9.305 2.336 -3.170 1.00 0.00 C ATOM 391 CG TYR A 78 9.912 3.378 -4.106 1.00 0.00 C ATOM 392 CD1 TYR A 78 9.107 4.073 -5.037 1.00 0.00 C ATOM 393 CD2 TYR A 78 11.230 3.807 -3.811 1.00 0.00 C ATOM 394 CE1 TYR A 78 9.609 5.238 -5.639 1.00 0.00 C ATOM 395 CE2 TYR A 78 11.730 4.979 -4.400 1.00 0.00 C ATOM 396 CZ TYR A 78 10.911 5.676 -5.310 1.00 0.00 C ATOM 397 OH TYR A 78 11.373 6.847 -5.826 1.00 0.00 O ATOM 0 H TYR A 78 10.591 3.516 -1.365 1.00 0.00 H new ATOM 0 HA TYR A 78 7.896 3.689 -2.300 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.082 1.645 -2.843 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.563 1.749 -3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 78 8.119 3.713 -5.282 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.848 3.234 -3.135 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.007 5.792 -6.344 1.00 0.00 H new ATOM 0 HE2 TYR A 78 12.720 5.338 -4.161 1.00 0.00 H new ATOM 0 HH TYR A 78 12.284 7.009 -5.504 1.00 0.00 H new ATOM 398 N LEU A 79 6.653 2.026 -1.050 1.00 0.00 N ATOM 399 CA LEU A 79 5.809 0.921 -0.551 1.00 0.00 C ATOM 400 C LEU A 79 6.170 -0.379 -1.271 1.00 0.00 C ATOM 401 O LEU A 79 6.039 -0.505 -2.491 1.00 0.00 O ATOM 402 CB LEU A 79 4.336 1.288 -0.783 1.00 0.00 C ATOM 403 CG LEU A 79 3.330 0.185 -0.421 1.00 0.00 C ATOM 404 CD1 LEU A 79 3.480 -0.370 0.972 1.00 0.00 C ATOM 405 CD2 LEU A 79 1.967 0.822 -0.677 1.00 0.00 C ATOM 0 H LEU A 79 6.139 2.853 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 79 5.978 0.769 0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.102 2.178 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.203 1.551 -1.832 1.00 0.00 H new ATOM 0 HG LEU A 79 3.491 -0.707 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.729 -1.142 1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.475 -0.801 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.345 0.431 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.180 0.104 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.853 1.703 -0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.893 1.115 -1.724 1.00 0.00 H new ATOM 406 N ALA A 80 6.828 -1.224 -0.495 1.00 0.00 N ATOM 407 CA ALA A 80 7.345 -2.518 -0.956 1.00 0.00 C ATOM 408 C ALA A 80 6.657 -3.683 -0.246 1.00 0.00 C ATOM 409 O ALA A 80 6.007 -3.472 0.766 1.00 0.00 O ATOM 410 CB ALA A 80 8.843 -2.564 -0.703 1.00 0.00 C ATOM 0 H ALA A 80 7.025 -1.035 0.488 1.00 0.00 H new ATOM 0 HA ALA A 80 7.139 -2.618 -2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.240 -3.521 -1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.329 -1.756 -1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.036 -2.448 0.364 1.00 0.00 H new ATOM 411 N MET A 81 6.906 -4.887 -0.755 1.00 0.00 N ATOM 412 CA MET A 81 6.344 -6.110 -0.153 1.00 0.00 C ATOM 413 C MET A 81 7.351 -7.260 -0.199 1.00 0.00 C ATOM 414 O MET A 81 8.235 -7.294 -1.046 1.00 0.00 O ATOM 415 CB MET A 81 5.033 -6.514 -0.843 1.00 0.00 C ATOM 416 CG MET A 81 4.246 -7.438 0.080 1.00 0.00 C ATOM 417 SD MET A 81 2.595 -8.015 -0.478 1.00 0.00 S ATOM 418 CE MET A 81 1.891 -6.637 -1.360 1.00 0.00 C ATOM 0 H MET A 81 7.488 -5.050 -1.577 1.00 0.00 H new ATOM 0 HA MET A 81 6.125 -5.891 0.892 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.444 -5.628 -1.079 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.244 -7.017 -1.787 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.859 -8.318 0.273 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.116 -6.925 1.033 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.854 -6.500 -1.053 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.458 -5.733 -1.135 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.930 -6.833 -2.432 1.00 0.00 H new ATOM 419 N ASP A 82 7.317 -8.060 0.863 1.00 0.00 N ATOM 420 CA ASP A 82 8.156 -9.266 0.997 1.00 0.00 C ATOM 421 C ASP A 82 7.304 -10.528 0.986 1.00 0.00 C ATOM 422 O ASP A 82 6.200 -10.527 1.512 1.00 0.00 O ATOM 423 CB ASP A 82 8.902 -9.183 2.331 1.00 0.00 C ATOM 424 CG ASP A 82 10.286 -9.821 2.199 1.00 0.00 C ATOM 425 OD1 ASP A 82 11.200 -9.105 1.763 1.00 0.00 O ATOM 426 OD2 ASP A 82 10.339 -11.052 2.427 1.00 0.00 O ATOM 0 H ASP A 82 6.706 -7.896 1.664 1.00 0.00 H new ATOM 0 HA ASP A 82 8.851 -9.313 0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.001 -8.142 2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.331 -9.691 3.108 1.00 0.00 H new ATOM 427 N THR A 83 8.018 -11.629 0.772 1.00 0.00 N ATOM 428 CA THR A 83 7.480 -13.003 0.637 1.00 0.00 C ATOM 429 C THR A 83 6.643 -13.526 1.809 1.00 0.00 C ATOM 430 O THR A 83 5.924 -14.505 1.660 1.00 0.00 O ATOM 431 CB THR A 83 8.601 -14.025 0.397 1.00 0.00 C ATOM 432 OG1 THR A 83 9.755 -13.669 1.162 1.00 0.00 O ATOM 433 CG2 THR A 83 8.931 -14.178 -1.081 1.00 0.00 C ATOM 0 H THR A 83 9.034 -11.600 0.682 1.00 0.00 H new ATOM 0 HA THR A 83 6.812 -12.906 -0.218 1.00 0.00 H new ATOM 0 HB THR A 83 8.248 -15.000 0.732 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.466 -14.325 1.006 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.729 -14.911 -1.202 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.045 -14.515 -1.619 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.256 -13.218 -1.482 1.00 0.00 H new ATOM 434 N ASP A 84 6.885 -12.973 2.999 1.00 0.00 N ATOM 435 CA ASP A 84 6.088 -13.187 4.233 1.00 0.00 C ATOM 436 C ASP A 84 4.640 -12.688 4.117 1.00 0.00 C ATOM 437 O ASP A 84 3.785 -13.062 4.924 1.00 0.00 O ATOM 438 CB ASP A 84 6.804 -12.463 5.373 1.00 0.00 C ATOM 439 CG ASP A 84 8.200 -13.023 5.653 1.00 0.00 C ATOM 440 OD1 ASP A 84 9.093 -12.703 4.832 1.00 0.00 O ATOM 441 OD2 ASP A 84 8.365 -13.686 6.693 1.00 0.00 O ATOM 0 H ASP A 84 7.669 -12.338 3.147 1.00 0.00 H new ATOM 0 HA ASP A 84 6.017 -14.259 4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 84 6.886 -11.404 5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.201 -12.536 6.278 1.00 0.00 H new ATOM 442 N GLY A 85 4.444 -11.741 3.202 1.00 0.00 N ATOM 443 CA GLY A 85 3.166 -11.032 2.999 1.00 0.00 C ATOM 444 C GLY A 85 3.245 -9.547 3.375 1.00 0.00 C ATOM 445 O GLY A 85 2.480 -8.734 2.866 1.00 0.00 O ATOM 0 H GLY A 85 5.178 -11.433 2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.867 -11.122 1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.390 -11.512 3.595 1.00 0.00 H new ATOM 446 N LEU A 86 4.388 -9.165 3.949 1.00 0.00 N ATOM 447 CA LEU A 86 4.484 -7.898 4.693 1.00 0.00 C ATOM 448 C LEU A 86 5.090 -6.770 3.850 1.00 0.00 C ATOM 449 O LEU A 86 6.049 -6.992 3.110 1.00 0.00 O ATOM 450 CB LEU A 86 5.270 -8.075 5.988 1.00 0.00 C ATOM 451 CG LEU A 86 4.968 -9.359 6.782 1.00 0.00 C ATOM 452 CD1 LEU A 86 5.371 -9.045 8.225 1.00 0.00 C ATOM 453 CD2 LEU A 86 3.516 -9.847 6.827 1.00 0.00 C ATOM 0 H LEU A 86 5.253 -9.705 3.917 1.00 0.00 H new ATOM 0 HA LEU A 86 3.463 -7.607 4.942 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.334 -8.058 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.073 -7.217 6.631 1.00 0.00 H new ATOM 0 HG LEU A 86 5.509 -10.158 6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.184 -9.916 8.853 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.431 -8.793 8.260 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.785 -8.202 8.591 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.457 -10.759 7.421 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.888 -9.079 7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.169 -10.051 5.814 1.00 0.00 H new ATOM 454 N LEU A 87 4.710 -5.570 4.263 1.00 0.00 N ATOM 455 CA LEU A 87 5.010 -4.334 3.516 1.00 0.00 C ATOM 456 C LEU A 87 6.116 -3.528 4.217 1.00 0.00 C ATOM 457 O LEU A 87 6.064 -3.293 5.428 1.00 0.00 O ATOM 458 CB LEU A 87 3.783 -3.423 3.374 1.00 0.00 C ATOM 459 CG LEU A 87 2.645 -4.040 2.550 1.00 0.00 C ATOM 460 CD1 LEU A 87 1.324 -3.470 3.064 1.00 0.00 C ATOM 461 CD2 LEU A 87 2.782 -3.906 1.037 1.00 0.00 C ATOM 0 H LEU A 87 4.185 -5.414 5.123 1.00 0.00 H new ATOM 0 HA LEU A 87 5.333 -4.653 2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.408 -3.177 4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.090 -2.486 2.908 1.00 0.00 H new ATOM 0 HG LEU A 87 2.687 -5.119 2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.498 -3.894 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.204 -3.722 4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.326 -2.386 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.926 -4.375 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.819 -2.851 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.699 -4.397 0.710 1.00 0.00 H new ATOM 462 N TYR A 88 7.014 -2.990 3.402 1.00 0.00 N ATOM 463 CA TYR A 88 8.170 -2.227 3.910 1.00 0.00 C ATOM 464 C TYR A 88 8.560 -0.967 3.135 1.00 0.00 C ATOM 465 O TYR A 88 8.344 -0.860 1.928 1.00 0.00 O ATOM 466 CB TYR A 88 9.409 -3.108 4.159 1.00 0.00 C ATOM 467 CG TYR A 88 9.914 -3.923 2.978 1.00 0.00 C ATOM 468 CD1 TYR A 88 9.232 -5.106 2.624 1.00 0.00 C ATOM 469 CD2 TYR A 88 11.087 -3.506 2.307 1.00 0.00 C ATOM 470 CE1 TYR A 88 9.725 -5.877 1.563 1.00 0.00 C ATOM 471 CE2 TYR A 88 11.585 -4.291 1.245 1.00 0.00 C ATOM 472 CZ TYR A 88 10.880 -5.458 0.880 1.00 0.00 C ATOM 473 OH TYR A 88 11.275 -6.172 -0.212 1.00 0.00 O ATOM 0 H TYR A 88 6.973 -3.062 2.385 1.00 0.00 H new ATOM 0 HA TYR A 88 7.789 -1.860 4.863 1.00 0.00 H new ATOM 0 HB2 TYR A 88 10.220 -2.466 4.501 1.00 0.00 H new ATOM 0 HB3 TYR A 88 9.180 -3.795 4.974 1.00 0.00 H new ATOM 0 HD1 TYR A 88 8.346 -5.412 3.161 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.594 -2.600 2.603 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.221 -6.787 1.272 1.00 0.00 H new ATOM 0 HE2 TYR A 88 12.486 -4.005 0.723 1.00 0.00 H new ATOM 0 HH TYR A 88 10.751 -6.998 -0.269 1.00 0.00 H new ATOM 474 N GLY A 89 9.153 -0.053 3.885 1.00 0.00 N ATOM 475 CA GLY A 89 9.671 1.240 3.383 1.00 0.00 C ATOM 476 C GLY A 89 11.018 1.037 2.701 1.00 0.00 C ATOM 477 O GLY A 89 12.078 1.180 3.313 1.00 0.00 O ATOM 0 H GLY A 89 9.298 -0.178 4.887 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.961 1.676 2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.775 1.944 4.209 1.00 0.00 H new ATOM 478 N SER A 90 10.939 0.526 1.482 1.00 0.00 N ATOM 479 CA SER A 90 12.132 0.268 0.645 1.00 0.00 C ATOM 480 C SER A 90 12.504 1.445 -0.259 1.00 0.00 C ATOM 481 O SER A 90 11.829 1.790 -1.224 1.00 0.00 O ATOM 482 CB SER A 90 12.017 -1.011 -0.169 1.00 0.00 C ATOM 483 OG SER A 90 13.207 -1.175 -0.949 1.00 0.00 O ATOM 0 H SER A 90 10.058 0.275 1.034 1.00 0.00 H new ATOM 0 HA SER A 90 12.945 0.138 1.359 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.879 -1.867 0.492 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.143 -0.966 -0.819 1.00 0.00 H new ATOM 0 HG SER A 90 13.003 -1.015 -1.894 1.00 0.00 H new ATOM 484 N GLN A 91 13.666 1.985 0.080 1.00 0.00 N ATOM 485 CA GLN A 91 14.417 3.023 -0.659 1.00 0.00 C ATOM 486 C GLN A 91 14.553 2.723 -2.166 1.00 0.00 C ATOM 487 O GLN A 91 14.581 3.616 -3.011 1.00 0.00 O ATOM 488 CB GLN A 91 15.845 3.017 -0.103 1.00 0.00 C ATOM 489 CG GLN A 91 16.041 3.620 1.301 1.00 0.00 C ATOM 490 CD GLN A 91 15.218 2.984 2.436 1.00 0.00 C ATOM 491 OE1 GLN A 91 14.590 3.667 3.226 1.00 0.00 O ATOM 492 NE2 GLN A 91 15.270 1.686 2.616 1.00 0.00 N ATOM 0 H GLN A 91 14.151 1.700 0.931 1.00 0.00 H new ATOM 0 HA GLN A 91 13.881 3.965 -0.539 1.00 0.00 H new ATOM 0 HB2 GLN A 91 16.199 1.986 -0.083 1.00 0.00 H new ATOM 0 HB3 GLN A 91 16.484 3.560 -0.799 1.00 0.00 H new ATOM 0 HG2 GLN A 91 17.097 3.546 1.561 1.00 0.00 H new ATOM 0 HG3 GLN A 91 15.798 4.681 1.255 1.00 0.00 H new ATOM 0 HE21 GLN A 91 15.792 1.101 1.963 1.00 0.00 H new ATOM 0 HE22 GLN A 91 14.789 1.261 3.409 1.00 0.00 H new ATOM 493 N THR A 92 14.646 1.426 -2.435 1.00 0.00 N ATOM 494 CA THR A 92 15.062 0.862 -3.725 1.00 0.00 C ATOM 495 C THR A 92 13.863 0.180 -4.377 1.00 0.00 C ATOM 496 O THR A 92 13.398 -0.857 -3.872 1.00 0.00 O ATOM 497 CB THR A 92 16.160 -0.166 -3.430 1.00 0.00 C ATOM 498 OG1 THR A 92 17.041 0.350 -2.420 1.00 0.00 O ATOM 499 CG2 THR A 92 16.987 -0.450 -4.676 1.00 0.00 C ATOM 0 H THR A 92 14.428 0.710 -1.742 1.00 0.00 H new ATOM 0 HA THR A 92 15.433 1.632 -4.401 1.00 0.00 H new ATOM 0 HB THR A 92 15.680 -1.085 -3.095 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.742 -0.308 -2.230 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.759 -1.182 -4.441 1.00 0.00 H new ATOM 0 HG22 THR A 92 16.340 -0.844 -5.460 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.454 0.472 -5.020 1.00 0.00 H new ATOM 500 N PRO A 93 13.383 0.703 -5.512 1.00 0.00 N ATOM 501 CA PRO A 93 12.181 0.191 -6.145 1.00 0.00 C ATOM 502 C PRO A 93 12.368 -0.995 -7.099 1.00 0.00 C ATOM 503 O PRO A 93 12.506 -0.887 -8.319 1.00 0.00 O ATOM 504 CB PRO A 93 11.498 1.402 -6.755 1.00 0.00 C ATOM 505 CG PRO A 93 12.685 2.249 -7.212 1.00 0.00 C ATOM 506 CD PRO A 93 13.790 1.957 -6.176 1.00 0.00 C ATOM 0 HA PRO A 93 11.546 -0.287 -5.399 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.850 1.127 -7.587 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.878 1.928 -6.029 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.003 1.977 -8.218 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.431 3.309 -7.234 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.762 1.849 -6.658 1.00 0.00 H new ATOM 0 HD3 PRO A 93 13.880 2.771 -5.457 1.00 0.00 H new ATOM 507 N ASN A 94 12.161 -2.135 -6.478 1.00 0.00 N ATOM 508 CA ASN A 94 12.261 -3.468 -7.095 1.00 0.00 C ATOM 509 C ASN A 94 10.855 -3.930 -7.519 1.00 0.00 C ATOM 510 O ASN A 94 9.879 -3.248 -7.251 1.00 0.00 O ATOM 511 CB ASN A 94 12.889 -4.350 -6.002 1.00 0.00 C ATOM 512 CG ASN A 94 13.099 -5.827 -6.351 1.00 0.00 C ATOM 513 OD1 ASN A 94 12.208 -6.657 -6.246 1.00 0.00 O ATOM 514 ND2 ASN A 94 14.265 -6.174 -6.853 1.00 0.00 N ATOM 0 H ASN A 94 11.908 -2.176 -5.491 1.00 0.00 H new ATOM 0 HA ASN A 94 12.868 -3.502 -8.000 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.855 -3.923 -5.732 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.257 -4.296 -5.115 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.425 -7.135 -7.154 1.00 0.00 H new ATOM 0 HD22 ASN A 94 15.009 -5.482 -6.941 1.00 0.00 H new ATOM 515 N GLU A 95 10.763 -5.112 -8.112 1.00 0.00 N ATOM 516 CA GLU A 95 9.474 -5.785 -8.442 1.00 0.00 C ATOM 517 C GLU A 95 8.466 -5.678 -7.286 1.00 0.00 C ATOM 518 O GLU A 95 7.386 -5.091 -7.415 1.00 0.00 O ATOM 519 CB GLU A 95 9.712 -7.279 -8.673 1.00 0.00 C ATOM 520 CG GLU A 95 10.574 -7.522 -9.925 1.00 0.00 C ATOM 521 CD GLU A 95 11.758 -8.445 -9.633 1.00 0.00 C ATOM 522 OE1 GLU A 95 12.717 -7.933 -9.023 1.00 0.00 O ATOM 523 OE2 GLU A 95 11.693 -9.625 -10.062 1.00 0.00 O ATOM 0 H GLU A 95 11.582 -5.654 -8.389 1.00 0.00 H new ATOM 0 HA GLU A 95 9.080 -5.293 -9.331 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.204 -7.710 -7.801 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.755 -7.789 -8.783 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.958 -7.960 -10.710 1.00 0.00 H new ATOM 0 HG3 GLU A 95 10.942 -6.568 -10.303 1.00 0.00 H new ATOM 524 N GLU A 96 9.011 -5.978 -6.113 1.00 0.00 N ATOM 525 CA GLU A 96 8.372 -5.894 -4.795 1.00 0.00 C ATOM 526 C GLU A 96 7.681 -4.541 -4.509 1.00 0.00 C ATOM 527 O GLU A 96 6.521 -4.509 -4.122 1.00 0.00 O ATOM 528 CB GLU A 96 9.498 -6.065 -3.783 1.00 0.00 C ATOM 529 CG GLU A 96 10.006 -7.505 -3.837 1.00 0.00 C ATOM 530 CD GLU A 96 11.019 -7.815 -2.737 1.00 0.00 C ATOM 531 OE1 GLU A 96 12.189 -7.439 -2.940 1.00 0.00 O ATOM 532 OE2 GLU A 96 10.622 -8.459 -1.734 1.00 0.00 O ATOM 0 H GLU A 96 9.974 -6.308 -6.047 1.00 0.00 H new ATOM 0 HA GLU A 96 7.590 -6.652 -4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.310 -5.372 -4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.141 -5.830 -2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.161 -8.188 -3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.464 -7.688 -4.809 1.00 0.00 H new ATOM 533 N CYS A 97 8.345 -3.483 -4.979 1.00 0.00 N ATOM 534 CA CYS A 97 8.030 -2.093 -4.630 1.00 0.00 C ATOM 535 C CYS A 97 7.228 -1.397 -5.745 1.00 0.00 C ATOM 536 O CYS A 97 6.887 -0.216 -5.667 1.00 0.00 O ATOM 537 CB CYS A 97 9.364 -1.361 -4.474 1.00 0.00 C ATOM 538 SG CYS A 97 10.680 -2.263 -3.583 1.00 0.00 S ATOM 0 H CYS A 97 9.131 -3.568 -5.624 1.00 0.00 H new ATOM 0 HA CYS A 97 7.431 -2.075 -3.720 1.00 0.00 H new ATOM 0 HB2 CYS A 97 9.734 -1.108 -5.468 1.00 0.00 H new ATOM 0 HB3 CYS A 97 9.180 -0.421 -3.954 1.00 0.00 H new ATOM 0 HG CYS A 97 11.798 -1.606 -3.678 1.00 0.00 H new ATOM 539 N LEU A 98 6.944 -2.179 -6.781 1.00 0.00 N ATOM 540 CA LEU A 98 6.201 -1.723 -7.950 1.00 0.00 C ATOM 541 C LEU A 98 4.858 -2.442 -7.922 1.00 0.00 C ATOM 542 O LEU A 98 4.771 -3.653 -7.716 1.00 0.00 O ATOM 543 CB LEU A 98 6.929 -2.053 -9.256 1.00 0.00 C ATOM 544 CG LEU A 98 6.519 -1.074 -10.364 1.00 0.00 C ATOM 545 CD1 LEU A 98 7.483 -1.196 -11.512 1.00 0.00 C ATOM 546 CD2 LEU A 98 5.120 -1.246 -10.907 1.00 0.00 C ATOM 0 H LEU A 98 7.226 -3.158 -6.833 1.00 0.00 H new ATOM 0 HA LEU A 98 6.089 -0.639 -7.914 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.007 -2.004 -9.100 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.697 -3.074 -9.560 1.00 0.00 H new ATOM 0 HG LEU A 98 6.540 -0.092 -9.892 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.197 -0.503 -12.303 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.490 -0.959 -11.168 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.462 -2.215 -11.898 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.937 -0.503 -11.683 1.00 0.00 H new ATOM 0 HD22 LEU A 98 5.014 -2.245 -11.329 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.398 -1.114 -10.101 1.00 0.00 H new ATOM 547 N PHE A 99 3.860 -1.622 -8.135 1.00 0.00 N ATOM 548 CA PHE A 99 2.485 -2.085 -8.073 1.00 0.00 C ATOM 549 C PHE A 99 1.531 -1.783 -9.221 1.00 0.00 C ATOM 550 O PHE A 99 1.557 -0.705 -9.823 1.00 0.00 O ATOM 551 CB PHE A 99 1.849 -1.558 -6.766 1.00 0.00 C ATOM 552 CG PHE A 99 2.311 -2.235 -5.469 1.00 0.00 C ATOM 553 CD1 PHE A 99 3.497 -1.803 -4.848 1.00 0.00 C ATOM 554 CD2 PHE A 99 1.500 -3.229 -4.868 1.00 0.00 C ATOM 555 CE1 PHE A 99 3.876 -2.357 -3.605 1.00 0.00 C ATOM 556 CE2 PHE A 99 1.865 -3.780 -3.629 1.00 0.00 C ATOM 557 CZ PHE A 99 3.052 -3.332 -2.999 1.00 0.00 C ATOM 0 H PHE A 99 3.967 -0.631 -8.353 1.00 0.00 H new ATOM 0 HA PHE A 99 2.600 -3.167 -8.135 1.00 0.00 H new ATOM 0 HB2 PHE A 99 2.058 -0.491 -6.689 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.767 -1.666 -6.843 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.114 -1.052 -5.319 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.600 -3.563 -5.363 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.788 -2.038 -3.122 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.249 -4.535 -3.163 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.332 -3.742 -2.040 1.00 0.00 H new ATOM 558 N LEU A 100 0.731 -2.783 -9.544 1.00 0.00 N ATOM 559 CA LEU A 100 -0.256 -2.748 -10.622 1.00 0.00 C ATOM 560 C LEU A 100 -1.483 -1.885 -10.308 1.00 0.00 C ATOM 561 O LEU A 100 -2.207 -2.152 -9.353 1.00 0.00 O ATOM 562 CB LEU A 100 -0.693 -4.169 -10.970 1.00 0.00 C ATOM 563 CG LEU A 100 -0.209 -4.565 -12.371 1.00 0.00 C ATOM 564 CD1 LEU A 100 1.312 -4.566 -12.480 1.00 0.00 C ATOM 565 CD2 LEU A 100 -0.772 -5.938 -12.719 1.00 0.00 C ATOM 0 H LEU A 100 0.747 -3.675 -9.049 1.00 0.00 H new ATOM 0 HA LEU A 100 0.236 -2.280 -11.475 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.295 -4.867 -10.233 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.780 -4.241 -10.923 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.571 -3.821 -13.081 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.604 -4.853 -13.490 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.693 -3.568 -12.261 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.727 -5.278 -11.766 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.434 -6.229 -13.714 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.424 -6.669 -11.989 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.861 -5.899 -12.703 1.00 0.00 H new ATOM 566 N GLU A 101 -1.736 -0.950 -11.220 1.00 0.00 N ATOM 567 CA GLU A 101 -2.921 -0.084 -11.187 1.00 0.00 C ATOM 568 C GLU A 101 -4.191 -0.845 -11.573 1.00 0.00 C ATOM 569 O GLU A 101 -4.542 -1.025 -12.736 1.00 0.00 O ATOM 570 CB GLU A 101 -2.784 1.155 -12.070 1.00 0.00 C ATOM 571 CG GLU A 101 -1.763 2.170 -11.545 1.00 0.00 C ATOM 572 CD GLU A 101 -1.578 3.346 -12.509 1.00 0.00 C ATOM 573 OE1 GLU A 101 -0.929 3.120 -13.554 1.00 0.00 O ATOM 574 OE2 GLU A 101 -2.096 4.435 -12.179 1.00 0.00 O ATOM 0 H GLU A 101 -1.121 -0.767 -12.013 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.002 0.251 -10.153 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.494 0.846 -13.074 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.756 1.640 -12.155 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.089 2.544 -10.575 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -0.805 1.674 -11.390 1.00 0.00 H new ATOM 575 N ARG A 102 -4.756 -1.443 -10.528 1.00 0.00 N ATOM 576 CA ARG A 102 -6.032 -2.174 -10.578 1.00 0.00 C ATOM 577 C ARG A 102 -7.235 -1.242 -10.461 1.00 0.00 C ATOM 578 O ARG A 102 -8.337 -1.593 -10.898 1.00 0.00 O ATOM 579 CB ARG A 102 -6.011 -3.159 -9.421 1.00 0.00 C ATOM 580 CG ARG A 102 -4.926 -4.228 -9.557 1.00 0.00 C ATOM 581 CD ARG A 102 -5.011 -5.037 -10.862 1.00 0.00 C ATOM 582 NE ARG A 102 -6.149 -5.975 -10.903 1.00 0.00 N ATOM 583 CZ ARG A 102 -7.239 -5.891 -11.682 1.00 0.00 C ATOM 584 NH1 ARG A 102 -7.457 -4.886 -12.533 1.00 0.00 N ATOM 585 NH2 ARG A 102 -8.134 -6.867 -11.681 1.00 0.00 N ATOM 0 H ARG A 102 -4.335 -1.436 -9.599 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.134 -2.680 -11.538 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.858 -2.613 -8.490 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.984 -3.645 -9.349 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.948 -3.749 -9.500 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.995 -4.912 -8.711 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.089 -4.347 -11.703 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.085 -5.597 -10.994 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.103 -6.774 -10.271 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.777 -4.131 -12.615 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -8.304 -4.874 -13.101 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -7.996 -7.685 -11.087 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -8.961 -6.801 -12.274 1.00 0.00 H new ATOM 586 N LEU A 103 -7.042 -0.214 -9.629 1.00 0.00 N ATOM 587 CA LEU A 103 -7.841 1.020 -9.528 1.00 0.00 C ATOM 588 C LEU A 103 -9.276 0.951 -8.944 1.00 0.00 C ATOM 589 O LEU A 103 -9.641 1.790 -8.124 1.00 0.00 O ATOM 590 CB LEU A 103 -7.773 1.723 -10.896 1.00 0.00 C ATOM 591 CG LEU A 103 -8.709 2.928 -11.064 1.00 0.00 C ATOM 592 CD1 LEU A 103 -8.368 4.030 -10.063 1.00 0.00 C ATOM 593 CD2 LEU A 103 -8.669 3.467 -12.492 1.00 0.00 C ATOM 0 H LEU A 103 -6.271 -0.218 -8.961 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.377 1.603 -8.733 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.748 2.054 -11.065 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.004 0.994 -11.672 1.00 0.00 H new ATOM 0 HG LEU A 103 -9.724 2.586 -10.863 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.046 4.872 -10.204 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.473 3.645 -9.049 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.341 4.361 -10.221 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -9.343 4.320 -12.578 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.654 3.781 -12.734 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.982 2.686 -13.185 1.00 0.00 H new ATOM 594 N GLU A 104 -10.038 -0.047 -9.363 1.00 0.00 N ATOM 595 CA GLU A 104 -11.486 -0.249 -9.156 1.00 0.00 C ATOM 596 C GLU A 104 -12.415 0.916 -9.575 1.00 0.00 C ATOM 597 O GLU A 104 -13.499 1.110 -9.037 1.00 0.00 O ATOM 598 CB GLU A 104 -11.834 -0.845 -7.782 1.00 0.00 C ATOM 599 CG GLU A 104 -11.494 -0.029 -6.536 1.00 0.00 C ATOM 600 CD GLU A 104 -12.470 1.124 -6.294 1.00 0.00 C ATOM 601 OE1 GLU A 104 -12.220 2.224 -6.839 1.00 0.00 O ATOM 602 OE2 GLU A 104 -13.420 0.906 -5.502 1.00 0.00 O ATOM 0 H GLU A 104 -9.635 -0.811 -9.906 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.722 -1.016 -9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.905 -1.045 -7.767 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -11.329 -1.807 -7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.494 -0.686 -5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.485 0.371 -6.634 1.00 0.00 H new ATOM 603 N GLU A 105 -11.983 1.604 -10.633 1.00 0.00 N ATOM 604 CA GLU A 105 -12.671 2.725 -11.297 1.00 0.00 C ATOM 605 C GLU A 105 -12.843 4.003 -10.465 1.00 0.00 C ATOM 606 O GLU A 105 -12.182 4.986 -10.762 1.00 0.00 O ATOM 607 CB GLU A 105 -14.013 2.248 -11.917 1.00 0.00 C ATOM 608 CG GLU A 105 -14.707 3.308 -12.783 1.00 0.00 C ATOM 609 CD GLU A 105 -16.195 3.019 -13.005 1.00 0.00 C ATOM 610 OE1 GLU A 105 -16.841 2.487 -12.064 1.00 0.00 O ATOM 611 OE2 GLU A 105 -16.684 3.365 -14.102 1.00 0.00 O ATOM 0 H GLU A 105 -11.092 1.385 -11.079 1.00 0.00 H new ATOM 0 HA GLU A 105 -11.992 3.039 -12.089 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -13.827 1.362 -12.524 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.687 1.950 -11.114 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.599 4.284 -12.309 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.206 3.365 -13.749 1.00 0.00 H new ATOM 612 N ASN A 106 -13.525 3.885 -9.336 1.00 0.00 N ATOM 613 CA ASN A 106 -13.855 4.994 -8.419 1.00 0.00 C ATOM 614 C ASN A 106 -12.715 5.489 -7.502 1.00 0.00 C ATOM 615 O ASN A 106 -12.942 6.143 -6.484 1.00 0.00 O ATOM 616 CB ASN A 106 -15.093 4.530 -7.674 1.00 0.00 C ATOM 617 CG ASN A 106 -16.319 4.840 -8.526 1.00 0.00 C ATOM 618 OD1 ASN A 106 -16.638 4.156 -9.497 1.00 0.00 O ATOM 619 ND2 ASN A 106 -16.926 5.985 -8.305 1.00 0.00 N ATOM 0 H ASN A 106 -13.882 2.987 -9.011 1.00 0.00 H new ATOM 0 HA ASN A 106 -14.035 5.904 -8.992 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.034 3.461 -7.471 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.165 5.034 -6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.659 6.304 -8.938 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -16.664 6.554 -7.500 1.00 0.00 H new ATOM 620 N HIS A 107 -11.501 5.233 -7.992 1.00 0.00 N ATOM 621 CA HIS A 107 -10.202 5.777 -7.549 1.00 0.00 C ATOM 622 C HIS A 107 -9.650 5.213 -6.235 1.00 0.00 C ATOM 623 O HIS A 107 -8.536 5.570 -5.854 1.00 0.00 O ATOM 624 CB HIS A 107 -10.154 7.325 -7.538 1.00 0.00 C ATOM 625 CG HIS A 107 -10.473 7.912 -8.922 1.00 0.00 C ATOM 626 ND1 HIS A 107 -11.563 7.650 -9.625 1.00 0.00 N ATOM 627 CD2 HIS A 107 -9.727 8.746 -9.633 1.00 0.00 C ATOM 628 CE1 HIS A 107 -11.508 8.303 -10.771 1.00 0.00 C ATOM 629 NE2 HIS A 107 -10.377 8.994 -10.777 1.00 0.00 N ATOM 0 H HIS A 107 -11.384 4.588 -8.773 1.00 0.00 H new ATOM 0 HA HIS A 107 -9.529 5.415 -8.326 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -10.867 7.706 -6.807 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -9.165 7.656 -7.221 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -8.769 9.152 -9.342 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.247 8.279 -11.558 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.057 9.609 -11.525 1.00 0.00 H new ATOM 630 N TYR A 108 -10.206 4.074 -5.833 1.00 0.00 N ATOM 631 CA TYR A 108 -9.774 3.397 -4.590 1.00 0.00 C ATOM 632 C TYR A 108 -8.787 2.314 -5.009 1.00 0.00 C ATOM 633 O TYR A 108 -9.034 1.100 -4.976 1.00 0.00 O ATOM 634 CB TYR A 108 -10.966 2.850 -3.810 1.00 0.00 C ATOM 635 CG TYR A 108 -11.894 3.951 -3.324 1.00 0.00 C ATOM 636 CD1 TYR A 108 -11.511 4.687 -2.175 1.00 0.00 C ATOM 637 CD2 TYR A 108 -13.122 4.148 -3.985 1.00 0.00 C ATOM 638 CE1 TYR A 108 -12.413 5.639 -1.666 1.00 0.00 C ATOM 639 CE2 TYR A 108 -14.015 5.111 -3.472 1.00 0.00 C ATOM 640 CZ TYR A 108 -13.650 5.842 -2.323 1.00 0.00 C ATOM 641 OH TYR A 108 -14.512 6.747 -1.808 1.00 0.00 O ATOM 0 H TYR A 108 -10.952 3.594 -6.337 1.00 0.00 H new ATOM 0 HA TYR A 108 -9.290 4.092 -3.904 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.525 2.160 -4.442 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -10.606 2.278 -2.955 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -10.554 4.522 -1.703 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -13.374 3.574 -4.865 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.164 6.209 -0.783 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -14.966 5.286 -3.953 1.00 0.00 H new ATOM 0 HH TYR A 108 -15.319 6.782 -2.363 1.00 0.00 H new ATOM 642 N ASN A 109 -7.646 2.858 -5.381 1.00 0.00 N ATOM 643 CA ASN A 109 -6.550 2.173 -6.065 1.00 0.00 C ATOM 644 C ASN A 109 -6.023 0.899 -5.389 1.00 0.00 C ATOM 645 O ASN A 109 -5.143 0.904 -4.527 1.00 0.00 O ATOM 646 CB ASN A 109 -5.455 3.202 -6.254 1.00 0.00 C ATOM 647 CG ASN A 109 -5.561 3.912 -7.594 1.00 0.00 C ATOM 648 OD1 ASN A 109 -5.040 3.470 -8.613 1.00 0.00 O ATOM 649 ND2 ASN A 109 -6.268 5.026 -7.641 1.00 0.00 N ATOM 0 H ASN A 109 -7.440 3.842 -5.208 1.00 0.00 H new ATOM 0 HA ASN A 109 -6.932 1.789 -7.011 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.506 3.937 -5.450 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -4.483 2.714 -6.179 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -6.382 5.521 -8.526 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.700 5.392 -6.793 1.00 0.00 H new ATOM 650 N THR A 110 -6.559 -0.183 -5.917 1.00 0.00 N ATOM 651 CA THR A 110 -6.127 -1.549 -5.622 1.00 0.00 C ATOM 652 C THR A 110 -4.818 -1.777 -6.395 1.00 0.00 C ATOM 653 O THR A 110 -4.671 -1.288 -7.522 1.00 0.00 O ATOM 654 CB THR A 110 -7.289 -2.443 -6.065 1.00 0.00 C ATOM 655 OG1 THR A 110 -7.818 -1.985 -7.314 1.00 0.00 O ATOM 656 CG2 THR A 110 -8.411 -2.424 -5.025 1.00 0.00 C ATOM 0 H THR A 110 -7.330 -0.143 -6.583 1.00 0.00 H new ATOM 0 HA THR A 110 -5.914 -1.762 -4.574 1.00 0.00 H new ATOM 0 HB THR A 110 -6.908 -3.458 -6.172 1.00 0.00 H new ATOM 0 HG1 THR A 110 -8.445 -2.650 -7.667 1.00 0.00 H new ATOM 0 HG21 THR A 110 -9.227 -3.065 -5.358 1.00 0.00 H new ATOM 0 HG22 THR A 110 -8.029 -2.789 -4.071 1.00 0.00 H new ATOM 0 HG23 THR A 110 -8.777 -1.405 -4.903 1.00 0.00 H new ATOM 657 N TYR A 111 -3.821 -2.316 -5.713 1.00 0.00 N ATOM 658 CA TYR A 111 -2.437 -2.423 -6.244 1.00 0.00 C ATOM 659 C TYR A 111 -1.774 -3.784 -6.004 1.00 0.00 C ATOM 660 O TYR A 111 -1.437 -4.101 -4.862 1.00 0.00 O ATOM 661 CB TYR A 111 -1.564 -1.320 -5.615 1.00 0.00 C ATOM 662 CG TYR A 111 -1.873 0.121 -6.004 1.00 0.00 C ATOM 663 CD1 TYR A 111 -2.180 0.434 -7.346 1.00 0.00 C ATOM 664 CD2 TYR A 111 -1.679 1.137 -5.037 1.00 0.00 C ATOM 665 CE1 TYR A 111 -2.319 1.769 -7.730 1.00 0.00 C ATOM 666 CE2 TYR A 111 -1.798 2.486 -5.424 1.00 0.00 C ATOM 667 CZ TYR A 111 -2.130 2.783 -6.771 1.00 0.00 C ATOM 668 OH TYR A 111 -2.515 4.048 -7.103 1.00 0.00 O ATOM 0 H TYR A 111 -3.930 -2.697 -4.773 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.517 -2.306 -7.325 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -1.645 -1.402 -4.531 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -0.525 -1.524 -5.873 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -2.307 -0.355 -8.072 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -1.443 0.881 -4.015 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -2.568 2.021 -8.750 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -1.639 3.280 -4.709 1.00 0.00 H new ATOM 0 HH TYR A 111 -2.941 4.039 -7.985 1.00 0.00 H new ATOM 669 N ILE A 112 -1.626 -4.598 -7.062 1.00 0.00 N ATOM 670 CA ILE A 112 -0.874 -5.871 -6.943 1.00 0.00 C ATOM 671 C ILE A 112 0.622 -5.695 -7.225 1.00 0.00 C ATOM 672 O ILE A 112 1.033 -5.165 -8.241 1.00 0.00 O ATOM 673 CB ILE A 112 -1.320 -7.105 -7.754 1.00 0.00 C ATOM 674 CG1 ILE A 112 -2.626 -6.922 -8.543 1.00 0.00 C ATOM 675 CG2 ILE A 112 -1.271 -8.320 -6.815 1.00 0.00 C ATOM 676 CD1 ILE A 112 -3.358 -8.183 -9.043 1.00 0.00 C ATOM 0 H ILE A 112 -2.004 -4.410 -7.990 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.111 -6.099 -5.904 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.624 -7.274 -8.575 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -3.319 -6.362 -7.915 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.407 -6.299 -9.410 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -1.581 -9.212 -7.358 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.254 -8.455 -6.447 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -1.943 -8.156 -5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.260 -7.891 -9.581 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.703 -8.743 -9.710 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.629 -8.808 -8.192 1.00 0.00 H new ATOM 677 N SER A 113 1.406 -6.234 -6.296 1.00 0.00 N ATOM 678 CA SER A 113 2.884 -6.237 -6.364 1.00 0.00 C ATOM 679 C SER A 113 3.376 -7.009 -7.592 1.00 0.00 C ATOM 680 O SER A 113 3.004 -8.167 -7.778 1.00 0.00 O ATOM 681 CB SER A 113 3.451 -6.899 -5.103 1.00 0.00 C ATOM 682 OG SER A 113 4.878 -6.773 -5.076 1.00 0.00 O ATOM 0 H SER A 113 1.039 -6.689 -5.460 1.00 0.00 H new ATOM 0 HA SER A 113 3.224 -5.204 -6.438 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.021 -6.435 -4.215 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.171 -7.952 -5.079 1.00 0.00 H new ATOM 0 HG SER A 113 5.122 -5.900 -4.703 1.00 0.00 H new ATOM 683 N LYS A 114 4.301 -6.397 -8.343 1.00 0.00 N ATOM 684 CA LYS A 114 4.937 -7.040 -9.520 1.00 0.00 C ATOM 685 C LYS A 114 5.463 -8.450 -9.218 1.00 0.00 C ATOM 686 O LYS A 114 5.164 -9.407 -9.922 1.00 0.00 O ATOM 687 CB LYS A 114 6.117 -6.224 -10.027 1.00 0.00 C ATOM 688 CG LYS A 114 5.731 -5.043 -10.910 1.00 0.00 C ATOM 689 CD LYS A 114 5.557 -5.511 -12.353 1.00 0.00 C ATOM 690 CE LYS A 114 5.344 -4.316 -13.266 1.00 0.00 C ATOM 691 NZ LYS A 114 5.450 -4.803 -14.646 1.00 0.00 N ATOM 0 H LYS A 114 4.633 -5.450 -8.161 1.00 0.00 H new ATOM 0 HA LYS A 114 4.149 -7.098 -10.270 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.682 -5.853 -9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.783 -6.880 -10.588 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.805 -4.595 -10.549 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.500 -4.272 -10.858 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.437 -6.070 -12.671 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.706 -6.189 -12.424 1.00 0.00 H new ATOM 0 HE2 LYS A 114 4.367 -3.866 -13.090 1.00 0.00 H new ATOM 0 HE3 LYS A 114 6.089 -3.545 -13.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 5.005 -4.119 -15.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.453 -4.915 -14.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.968 -5.721 -14.728 1.00 0.00 H new ATOM 692 N LYS A 115 6.132 -8.557 -8.076 1.00 0.00 N ATOM 693 CA LYS A 115 6.662 -9.830 -7.584 1.00 0.00 C ATOM 694 C LYS A 115 5.525 -10.786 -7.176 1.00 0.00 C ATOM 695 O LYS A 115 5.368 -11.864 -7.745 1.00 0.00 O ATOM 696 CB LYS A 115 7.633 -9.590 -6.413 1.00 0.00 C ATOM 697 CG LYS A 115 8.214 -10.953 -6.034 1.00 0.00 C ATOM 698 CD LYS A 115 8.689 -11.085 -4.605 1.00 0.00 C ATOM 699 CE LYS A 115 8.648 -12.582 -4.328 1.00 0.00 C ATOM 700 NZ LYS A 115 9.668 -13.327 -5.085 1.00 0.00 N ATOM 0 H LYS A 115 6.324 -7.765 -7.462 1.00 0.00 H new ATOM 0 HA LYS A 115 7.214 -10.306 -8.394 1.00 0.00 H new ATOM 0 HB2 LYS A 115 8.425 -8.899 -6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 115 7.114 -9.142 -5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 115 7.457 -11.715 -6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 115 9.051 -11.169 -6.698 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.696 -10.686 -4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.043 -10.536 -3.919 1.00 0.00 H new ATOM 0 HE2 LYS A 115 8.794 -12.754 -3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.660 -12.967 -4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 9.700 -14.311 -4.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.428 -13.314 -6.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 10.598 -12.883 -4.944 1.00 0.00 H new ATOM 701 N HIS A 116 4.713 -10.343 -6.221 1.00 0.00 N ATOM 702 CA HIS A 116 3.653 -11.196 -5.641 1.00 0.00 C ATOM 703 C HIS A 116 2.368 -11.288 -6.466 1.00 0.00 C ATOM 704 O HIS A 116 1.367 -11.804 -5.986 1.00 0.00 O ATOM 705 CB HIS A 116 3.352 -10.710 -4.218 1.00 0.00 C ATOM 706 CG HIS A 116 4.606 -10.765 -3.359 1.00 0.00 C ATOM 707 ND1 HIS A 116 5.132 -9.712 -2.747 1.00 0.00 N ATOM 708 CD2 HIS A 116 5.329 -11.839 -3.041 1.00 0.00 C ATOM 709 CE1 HIS A 116 6.184 -10.128 -2.052 1.00 0.00 C ATOM 710 NE2 HIS A 116 6.293 -11.445 -2.219 1.00 0.00 N ATOM 0 H HIS A 116 4.759 -9.404 -5.826 1.00 0.00 H new ATOM 0 HA HIS A 116 4.043 -12.214 -5.637 1.00 0.00 H new ATOM 0 HB2 HIS A 116 2.970 -9.690 -4.249 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.572 -11.329 -3.774 1.00 0.00 H new ATOM 0 HD1 HIS A 116 4.789 -8.753 -2.801 1.00 0.00 H new ATOM 0 HD2 HIS A 116 5.160 -12.847 -3.389 1.00 0.00 H new ATOM 0 HE1 HIS A 116 6.837 -9.508 -1.456 1.00 0.00 H new ATOM 711 N ALA A 117 2.522 -11.060 -7.767 1.00 0.00 N ATOM 712 CA ALA A 117 1.478 -11.347 -8.761 1.00 0.00 C ATOM 713 C ALA A 117 1.191 -12.856 -8.780 1.00 0.00 C ATOM 714 O ALA A 117 0.025 -13.234 -8.688 1.00 0.00 O ATOM 715 CB ALA A 117 1.927 -10.851 -10.146 1.00 0.00 C ATOM 0 H ALA A 117 3.375 -10.670 -8.169 1.00 0.00 H new ATOM 0 HA ALA A 117 0.560 -10.824 -8.495 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.150 -11.066 -10.879 1.00 0.00 H new ATOM 0 HB2 ALA A 117 2.103 -9.776 -10.108 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.848 -11.359 -10.434 1.00 0.00 H new ATOM 716 N GLU A 118 2.225 -13.659 -8.497 1.00 0.00 N ATOM 717 CA GLU A 118 2.061 -15.124 -8.387 1.00 0.00 C ATOM 718 C GLU A 118 1.259 -15.630 -7.169 1.00 0.00 C ATOM 719 O GLU A 118 0.985 -16.827 -7.037 1.00 0.00 O ATOM 720 CB GLU A 118 3.428 -15.820 -8.509 1.00 0.00 C ATOM 721 CG GLU A 118 4.425 -15.250 -7.512 1.00 0.00 C ATOM 722 CD GLU A 118 5.814 -15.824 -7.707 1.00 0.00 C ATOM 723 OE1 GLU A 118 6.492 -15.334 -8.637 1.00 0.00 O ATOM 724 OE2 GLU A 118 6.166 -16.736 -6.924 1.00 0.00 O ATOM 0 H GLU A 118 3.177 -13.328 -8.340 1.00 0.00 H new ATOM 0 HA GLU A 118 1.426 -15.403 -9.228 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.311 -16.890 -8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 118 3.812 -15.698 -9.522 1.00 0.00 H new ATOM 0 HG2 GLU A 118 4.463 -14.166 -7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 118 4.085 -15.461 -6.498 1.00 0.00 H new ATOM 725 N LYS A 119 0.987 -14.711 -6.243 1.00 0.00 N ATOM 726 CA LYS A 119 0.135 -14.904 -5.062 1.00 0.00 C ATOM 727 C LYS A 119 -1.066 -13.939 -5.001 1.00 0.00 C ATOM 728 O LYS A 119 -1.914 -14.089 -4.120 1.00 0.00 O ATOM 729 CB LYS A 119 1.041 -14.709 -3.840 1.00 0.00 C ATOM 730 CG LYS A 119 1.793 -15.998 -3.514 1.00 0.00 C ATOM 731 CD LYS A 119 3.194 -15.706 -2.983 1.00 0.00 C ATOM 732 CE LYS A 119 4.094 -15.208 -4.106 1.00 0.00 C ATOM 733 NZ LYS A 119 5.477 -15.092 -3.627 1.00 0.00 N ATOM 0 H LYS A 119 1.370 -13.767 -6.295 1.00 0.00 H new ATOM 0 HA LYS A 119 -0.306 -15.900 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 119 1.752 -13.906 -4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.442 -14.405 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.234 -16.570 -2.774 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.863 -16.617 -4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.141 -14.958 -2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.618 -16.608 -2.541 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.049 -15.895 -4.951 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.742 -14.240 -4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.022 -14.495 -4.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.481 -14.662 -2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.909 -16.037 -3.580 1.00 0.00 H new ATOM 734 N ASN A 120 -1.208 -13.090 -6.017 1.00 0.00 N ATOM 735 CA ASN A 120 -2.182 -11.975 -6.107 1.00 0.00 C ATOM 736 C ASN A 120 -2.231 -11.090 -4.849 1.00 0.00 C ATOM 737 O ASN A 120 -3.282 -10.589 -4.450 1.00 0.00 O ATOM 738 CB ASN A 120 -3.579 -12.528 -6.412 1.00 0.00 C ATOM 739 CG ASN A 120 -3.643 -13.331 -7.709 1.00 0.00 C ATOM 740 OD1 ASN A 120 -3.626 -12.819 -8.815 1.00 0.00 O ATOM 741 ND2 ASN A 120 -3.715 -14.639 -7.555 1.00 0.00 N ATOM 0 H ASN A 120 -0.622 -13.154 -6.849 1.00 0.00 H new ATOM 0 HA ASN A 120 -1.840 -11.333 -6.919 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -3.900 -13.161 -5.585 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -4.285 -11.699 -6.471 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -3.758 -15.247 -8.373 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -3.728 -15.042 -6.618 1.00 0.00 H new ATOM 742 N TRP A 121 -1.055 -10.763 -4.323 1.00 0.00 N ATOM 743 CA TRP A 121 -0.992 -9.936 -3.103 1.00 0.00 C ATOM 744 C TRP A 121 -0.986 -8.444 -3.369 1.00 0.00 C ATOM 745 O TRP A 121 -0.032 -7.860 -3.892 1.00 0.00 O ATOM 746 CB TRP A 121 0.186 -10.235 -2.185 1.00 0.00 C ATOM 747 CG TRP A 121 0.253 -11.674 -1.676 1.00 0.00 C ATOM 748 CD1 TRP A 121 -0.750 -12.535 -1.553 1.00 0.00 C ATOM 749 CD2 TRP A 121 1.365 -12.209 -1.046 1.00 0.00 C ATOM 750 NE1 TRP A 121 -0.329 -13.591 -0.861 1.00 0.00 N ATOM 751 CE2 TRP A 121 0.945 -13.433 -0.511 1.00 0.00 C ATOM 752 CE3 TRP A 121 2.680 -11.746 -0.863 1.00 0.00 C ATOM 753 CZ2 TRP A 121 1.822 -14.203 0.278 1.00 0.00 C ATOM 754 CZ3 TRP A 121 3.576 -12.516 -0.110 1.00 0.00 C ATOM 755 CH2 TRP A 121 3.124 -13.724 0.490 1.00 0.00 C ATOM 0 H TRP A 121 -0.151 -11.044 -4.702 1.00 0.00 H new ATOM 0 HA TRP A 121 -1.916 -10.222 -2.600 1.00 0.00 H new ATOM 0 HB2 TRP A 121 1.110 -10.010 -2.718 1.00 0.00 H new ATOM 0 HB3 TRP A 121 0.140 -9.563 -1.328 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -1.745 -12.400 -1.950 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -0.901 -14.404 -0.632 1.00 0.00 H new ATOM 0 HE3 TRP A 121 2.995 -10.809 -1.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 1.500 -15.139 0.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 4.600 -12.196 0.014 1.00 0.00 H new ATOM 0 HH2 TRP A 121 3.797 -14.284 1.122 1.00 0.00 H new ATOM 756 N PHE A 122 -2.119 -7.879 -3.000 1.00 0.00 N ATOM 757 CA PHE A 122 -2.296 -6.421 -3.020 1.00 0.00 C ATOM 758 C PHE A 122 -1.928 -5.839 -1.652 1.00 0.00 C ATOM 759 O PHE A 122 -2.062 -6.485 -0.614 1.00 0.00 O ATOM 760 CB PHE A 122 -3.741 -6.027 -3.299 1.00 0.00 C ATOM 761 CG PHE A 122 -4.313 -6.516 -4.624 1.00 0.00 C ATOM 762 CD1 PHE A 122 -4.704 -7.870 -4.748 1.00 0.00 C ATOM 763 CD2 PHE A 122 -4.759 -5.549 -5.548 1.00 0.00 C ATOM 764 CE1 PHE A 122 -5.567 -8.258 -5.794 1.00 0.00 C ATOM 765 CE2 PHE A 122 -5.637 -5.928 -6.585 1.00 0.00 C ATOM 766 CZ PHE A 122 -6.031 -7.276 -6.697 1.00 0.00 C ATOM 0 H PHE A 122 -2.937 -8.398 -2.681 1.00 0.00 H new ATOM 0 HA PHE A 122 -1.654 -6.034 -3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.365 -6.409 -2.491 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -3.814 -4.940 -3.271 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -4.343 -8.605 -4.044 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -4.430 -4.524 -5.462 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -5.868 -9.289 -5.903 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -6.003 -5.192 -7.286 1.00 0.00 H new ATOM 0 HZ PHE A 122 -6.703 -7.565 -7.491 1.00 0.00 H new ATOM 767 N VAL A 123 -1.451 -4.599 -1.695 1.00 0.00 N ATOM 768 CA VAL A 123 -1.322 -3.749 -0.498 1.00 0.00 C ATOM 769 C VAL A 123 -2.734 -3.527 0.090 1.00 0.00 C ATOM 770 O VAL A 123 -3.688 -3.359 -0.672 1.00 0.00 O ATOM 771 CB VAL A 123 -0.558 -2.452 -0.859 1.00 0.00 C ATOM 772 CG1 VAL A 123 -0.889 -1.869 -2.236 1.00 0.00 C ATOM 773 CG2 VAL A 123 -0.765 -1.319 0.142 1.00 0.00 C ATOM 0 H VAL A 123 -1.141 -4.148 -2.556 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.727 -4.224 0.282 1.00 0.00 H new ATOM 0 HB VAL A 123 0.475 -2.801 -0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -0.305 -0.963 -2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -0.647 -2.599 -3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -1.951 -1.629 -2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -0.199 -0.444 -0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.824 -1.068 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.419 -1.635 1.126 1.00 0.00 H new ATOM 774 N GLY A 124 -2.808 -3.453 1.416 1.00 0.00 N ATOM 775 CA GLY A 124 -4.087 -3.309 2.125 1.00 0.00 C ATOM 776 C GLY A 124 -3.906 -2.899 3.574 1.00 0.00 C ATOM 777 O GLY A 124 -2.985 -3.307 4.281 1.00 0.00 O ATOM 0 H GLY A 124 -1.994 -3.490 2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.700 -2.566 1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.630 -4.253 2.083 1.00 0.00 H new ATOM 778 N LEU A 125 -4.747 -1.934 3.896 1.00 0.00 N ATOM 779 CA LEU A 125 -4.848 -1.407 5.265 1.00 0.00 C ATOM 780 C LEU A 125 -5.544 -2.417 6.145 1.00 0.00 C ATOM 781 O LEU A 125 -6.692 -2.792 5.910 1.00 0.00 O ATOM 782 CB LEU A 125 -5.532 -0.057 5.306 1.00 0.00 C ATOM 783 CG LEU A 125 -4.386 0.919 5.226 1.00 0.00 C ATOM 784 CD1 LEU A 125 -3.856 1.018 3.813 1.00 0.00 C ATOM 785 CD2 LEU A 125 -4.852 2.322 5.610 1.00 0.00 C ATOM 0 H LEU A 125 -5.379 -1.489 3.230 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.840 -1.245 5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -6.225 0.068 4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.108 0.074 6.222 1.00 0.00 H new ATOM 0 HG LEU A 125 -3.615 0.556 5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.030 1.729 3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -3.505 0.039 3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.651 1.358 3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -4.012 3.014 5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -5.639 2.643 4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -5.237 2.311 6.630 1.00 0.00 H new ATOM 786 N LYS A 126 -4.691 -3.061 6.915 1.00 0.00 N ATOM 787 CA LYS A 126 -5.174 -4.188 7.677 1.00 0.00 C ATOM 788 C LYS A 126 -6.222 -3.739 8.712 1.00 0.00 C ATOM 789 O LYS A 126 -6.074 -2.648 9.248 1.00 0.00 O ATOM 790 CB LYS A 126 -3.975 -4.838 8.356 1.00 0.00 C ATOM 791 CG LYS A 126 -4.200 -6.304 8.735 1.00 0.00 C ATOM 792 CD LYS A 126 -3.888 -6.552 10.207 1.00 0.00 C ATOM 793 CE LYS A 126 -4.847 -5.800 11.140 1.00 0.00 C ATOM 794 NZ LYS A 126 -4.513 -6.180 12.513 1.00 0.00 N ATOM 0 H LYS A 126 -3.703 -2.836 7.027 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.665 -4.906 7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.113 -4.772 7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.728 -4.274 9.255 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -5.234 -6.580 8.529 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -3.570 -6.942 8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -3.947 -7.621 10.414 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -2.864 -6.243 10.416 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -4.747 -4.723 11.005 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -5.882 -6.055 10.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -5.338 -6.024 13.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -4.246 -7.185 12.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -3.717 -5.602 12.849 1.00 0.00 H new ATOM 795 N LYS A 127 -7.335 -4.473 8.798 1.00 0.00 N ATOM 796 CA LYS A 127 -8.526 -4.238 9.663 1.00 0.00 C ATOM 797 C LYS A 127 -8.520 -3.334 10.905 1.00 0.00 C ATOM 798 O LYS A 127 -9.556 -2.789 11.286 1.00 0.00 O ATOM 799 CB LYS A 127 -9.144 -5.591 10.047 1.00 0.00 C ATOM 800 CG LYS A 127 -9.808 -6.303 8.871 1.00 0.00 C ATOM 801 CD LYS A 127 -10.976 -5.497 8.289 1.00 0.00 C ATOM 802 CE LYS A 127 -11.512 -6.169 7.022 1.00 0.00 C ATOM 803 NZ LYS A 127 -12.569 -5.349 6.438 1.00 0.00 N ATOM 0 H LYS A 127 -7.449 -5.312 8.229 1.00 0.00 H new ATOM 0 HA LYS A 127 -9.094 -3.600 8.985 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -8.367 -6.234 10.461 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -9.882 -5.436 10.834 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -9.067 -6.481 8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -10.169 -7.279 9.196 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -11.772 -5.414 9.028 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -10.647 -4.483 8.059 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -10.705 -6.305 6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -11.898 -7.160 7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -13.066 -5.894 5.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -13.243 -5.071 7.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -12.152 -4.497 6.012 1.00 0.00 H new ATOM 804 N ASN A 128 -7.358 -3.209 11.538 1.00 0.00 N ATOM 805 CA ASN A 128 -7.134 -2.463 12.789 1.00 0.00 C ATOM 806 C ASN A 128 -6.216 -1.240 12.631 1.00 0.00 C ATOM 807 O ASN A 128 -6.121 -0.412 13.528 1.00 0.00 O ATOM 808 CB ASN A 128 -6.466 -3.438 13.752 1.00 0.00 C ATOM 809 CG ASN A 128 -7.385 -4.554 14.241 1.00 0.00 C ATOM 810 OD1 ASN A 128 -6.953 -5.652 14.547 1.00 0.00 O ATOM 811 ND2 ASN A 128 -8.674 -4.301 14.333 1.00 0.00 N ATOM 0 H ASN A 128 -6.504 -3.641 11.184 1.00 0.00 H new ATOM 0 HA ASN A 128 -8.094 -2.082 13.137 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -5.601 -3.883 13.261 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -6.093 -2.884 14.614 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -9.314 -5.025 14.661 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -9.033 -3.381 14.076 1.00 0.00 H new ATOM 812 N GLY A 129 -5.447 -1.274 11.545 1.00 0.00 N ATOM 813 CA GLY A 129 -4.472 -0.242 11.205 1.00 0.00 C ATOM 814 C GLY A 129 -3.312 -0.764 10.364 1.00 0.00 C ATOM 815 O GLY A 129 -3.384 -0.810 9.140 1.00 0.00 O ATOM 0 H GLY A 129 -5.485 -2.033 10.865 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -4.974 0.558 10.662 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -4.079 0.194 12.123 1.00 0.00 H new ATOM 816 N SER A 130 -2.418 -1.451 11.068 1.00 0.00 N ATOM 817 CA SER A 130 -1.096 -1.789 10.535 1.00 0.00 C ATOM 818 C SER A 130 -1.179 -2.836 9.429 1.00 0.00 C ATOM 819 O SER A 130 -1.438 -3.996 9.714 1.00 0.00 O ATOM 820 CB SER A 130 -0.137 -2.318 11.613 1.00 0.00 C ATOM 821 OG SER A 130 0.227 -1.295 12.529 1.00 0.00 O ATOM 0 H SER A 130 -2.584 -1.788 12.016 1.00 0.00 H new ATOM 0 HA SER A 130 -0.706 -0.852 10.137 1.00 0.00 H new ATOM 0 HB2 SER A 130 -0.610 -3.139 12.151 1.00 0.00 H new ATOM 0 HB3 SER A 130 0.759 -2.721 11.140 1.00 0.00 H new ATOM 0 HG SER A 130 1.010 -0.814 12.188 1.00 0.00 H new ATOM 822 N CYS A 131 -0.562 -2.457 8.318 1.00 0.00 N ATOM 823 CA CYS A 131 -0.759 -3.080 7.004 1.00 0.00 C ATOM 824 C CYS A 131 0.067 -4.368 6.799 1.00 0.00 C ATOM 825 O CYS A 131 0.602 -4.631 5.727 1.00 0.00 O ATOM 826 CB CYS A 131 -0.286 -2.050 5.976 1.00 0.00 C ATOM 827 SG CYS A 131 -1.186 -0.458 5.967 1.00 0.00 S ATOM 0 H CYS A 131 0.108 -1.688 8.299 1.00 0.00 H new ATOM 0 HA CYS A 131 -1.807 -3.362 6.907 1.00 0.00 H new ATOM 0 HB2 CYS A 131 0.770 -1.847 6.153 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -0.363 -2.494 4.984 1.00 0.00 H new ATOM 0 HG CYS A 131 -0.343 0.516 5.794 1.00 0.00 H new ATOM 828 N LYS A 132 0.133 -5.243 7.797 1.00 0.00 N ATOM 829 CA LYS A 132 1.030 -6.407 7.705 1.00 0.00 C ATOM 830 C LYS A 132 0.301 -7.730 7.493 1.00 0.00 C ATOM 831 O LYS A 132 -0.283 -8.286 8.433 1.00 0.00 O ATOM 832 CB LYS A 132 1.925 -6.524 8.967 1.00 0.00 C ATOM 833 CG LYS A 132 2.743 -5.270 9.255 1.00 0.00 C ATOM 834 CD LYS A 132 3.884 -5.061 8.256 1.00 0.00 C ATOM 835 CE LYS A 132 3.937 -3.618 7.752 1.00 0.00 C ATOM 836 NZ LYS A 132 4.044 -2.660 8.859 1.00 0.00 N ATOM 0 H LYS A 132 -0.406 -5.179 8.661 1.00 0.00 H new ATOM 0 HA LYS A 132 1.642 -6.225 6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 132 1.295 -6.743 9.829 1.00 0.00 H new ATOM 0 HB3 LYS A 132 2.602 -7.369 8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 132 2.086 -4.401 9.235 1.00 0.00 H new ATOM 0 HG3 LYS A 132 3.156 -5.335 10.262 1.00 0.00 H new ATOM 0 HD2 LYS A 132 4.833 -5.317 8.728 1.00 0.00 H new ATOM 0 HD3 LYS A 132 3.756 -5.737 7.411 1.00 0.00 H new ATOM 0 HE2 LYS A 132 4.789 -3.497 7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 132 3.041 -3.403 7.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 4.754 -1.937 8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 3.123 -2.203 9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 4.331 -3.160 9.724 1.00 0.00 H new ATOM 837 N ARG A 133 0.109 -8.031 6.212 1.00 0.00 N ATOM 838 CA ARG A 133 -0.626 -9.253 5.828 1.00 0.00 C ATOM 839 C ARG A 133 -0.095 -10.127 4.665 1.00 0.00 C ATOM 840 O ARG A 133 0.692 -11.028 4.934 1.00 0.00 O ATOM 841 CB ARG A 133 -2.133 -8.941 5.761 1.00 0.00 C ATOM 842 CG ARG A 133 -2.596 -8.053 4.609 1.00 0.00 C ATOM 843 CD ARG A 133 -2.060 -6.628 4.566 1.00 0.00 C ATOM 844 NE ARG A 133 -1.562 -6.512 3.194 1.00 0.00 N ATOM 845 CZ ARG A 133 -0.303 -6.674 2.803 1.00 0.00 C ATOM 846 NH1 ARG A 133 0.722 -6.551 3.634 1.00 0.00 N ATOM 847 NH2 ARG A 133 -0.031 -6.667 1.514 1.00 0.00 N ATOM 0 H ARG A 133 0.440 -7.466 5.430 1.00 0.00 H new ATOM 0 HA ARG A 133 -0.418 -9.956 6.635 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -2.674 -9.885 5.702 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -2.424 -8.464 6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -2.324 -8.544 3.675 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -3.684 -8.003 4.638 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -2.839 -5.896 4.777 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -1.268 -6.471 5.299 1.00 0.00 H new ATOM 0 HE ARG A 133 -2.245 -6.286 2.471 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.559 -6.324 4.615 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.674 -6.684 3.293 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -0.781 -6.539 0.835 1.00 0.00 H new ATOM 0 HH22 ARG A 133 0.930 -6.790 1.195 1.00 0.00 H new ATOM 848 N GLY A 134 -0.410 -9.760 3.415 1.00 0.00 N ATOM 849 CA GLY A 134 -0.157 -10.585 2.206 1.00 0.00 C ATOM 850 C GLY A 134 -1.255 -11.603 1.852 1.00 0.00 C ATOM 851 O GLY A 134 -2.149 -11.235 1.074 1.00 0.00 O ATOM 0 H GLY A 134 -0.856 -8.868 3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -0.018 -9.917 1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 134 0.781 -11.123 2.345 1.00 0.00 H new ATOM 852 N PRO A 135 -1.182 -12.873 2.303 1.00 0.00 N ATOM 853 CA PRO A 135 -2.147 -13.918 1.892 1.00 0.00 C ATOM 854 C PRO A 135 -3.472 -13.823 2.664 1.00 0.00 C ATOM 855 O PRO A 135 -3.797 -14.580 3.569 1.00 0.00 O ATOM 856 CB PRO A 135 -1.370 -15.216 2.083 1.00 0.00 C ATOM 857 CG PRO A 135 -0.507 -14.932 3.316 1.00 0.00 C ATOM 858 CD PRO A 135 -0.125 -13.458 3.147 1.00 0.00 C ATOM 0 HA PRO A 135 -2.487 -13.823 0.861 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -2.036 -16.063 2.245 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -0.760 -15.452 1.211 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -1.059 -15.101 4.241 1.00 0.00 H new ATOM 0 HG3 PRO A 135 0.373 -15.575 3.348 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -0.069 -12.954 4.112 1.00 0.00 H new ATOM 0 HD3 PRO A 135 0.853 -13.357 2.677 1.00 0.00 H new ATOM 859 N ARG A 136 -4.184 -12.792 2.226 1.00 0.00 N ATOM 860 CA ARG A 136 -5.462 -12.313 2.752 1.00 0.00 C ATOM 861 C ARG A 136 -6.000 -11.206 1.837 1.00 0.00 C ATOM 862 O ARG A 136 -7.168 -11.222 1.453 1.00 0.00 O ATOM 863 CB ARG A 136 -5.213 -11.759 4.167 1.00 0.00 C ATOM 864 CG ARG A 136 -6.512 -11.322 4.847 1.00 0.00 C ATOM 865 CD ARG A 136 -6.528 -9.808 4.990 1.00 0.00 C ATOM 866 NE ARG A 136 -6.766 -9.585 6.419 1.00 0.00 N ATOM 867 CZ ARG A 136 -6.796 -8.423 7.047 1.00 0.00 C ATOM 868 NH1 ARG A 136 -6.644 -7.264 6.422 1.00 0.00 N ATOM 869 NH2 ARG A 136 -6.985 -8.440 8.356 1.00 0.00 N ATOM 0 H ARG A 136 -3.864 -12.227 1.439 1.00 0.00 H new ATOM 0 HA ARG A 136 -6.194 -13.119 2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.724 -12.521 4.774 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -4.530 -10.911 4.110 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -7.370 -11.651 4.261 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -6.597 -11.791 5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -5.584 -9.368 4.670 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -7.312 -9.359 4.381 1.00 0.00 H new ATOM 0 HE ARG A 136 -6.925 -10.415 6.989 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -6.496 -7.244 5.413 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -6.675 -6.392 6.950 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -7.101 -9.329 8.843 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -7.015 -7.564 8.878 1.00 0.00 H new ATOM 870 N THR A 137 -5.107 -10.290 1.474 1.00 0.00 N ATOM 871 CA THR A 137 -5.394 -9.116 0.637 1.00 0.00 C ATOM 872 C THR A 137 -5.471 -9.361 -0.874 1.00 0.00 C ATOM 873 O THR A 137 -4.489 -9.276 -1.601 1.00 0.00 O ATOM 874 CB THR A 137 -4.377 -8.020 0.969 1.00 0.00 C ATOM 875 OG1 THR A 137 -3.090 -8.593 1.203 1.00 0.00 O ATOM 876 CG2 THR A 137 -4.915 -7.139 2.087 1.00 0.00 C ATOM 0 H THR A 137 -4.129 -10.341 1.761 1.00 0.00 H new ATOM 0 HA THR A 137 -6.410 -8.811 0.888 1.00 0.00 H new ATOM 0 HB THR A 137 -4.232 -7.351 0.121 1.00 0.00 H new ATOM 0 HG1 THR A 137 -2.413 -8.094 0.699 1.00 0.00 H new ATOM 0 HG21 THR A 137 -4.188 -6.361 2.319 1.00 0.00 H new ATOM 0 HG22 THR A 137 -5.850 -6.678 1.769 1.00 0.00 H new ATOM 0 HG23 THR A 137 -5.093 -7.746 2.975 1.00 0.00 H new ATOM 877 N HIS A 138 -6.702 -9.660 -1.273 1.00 0.00 N ATOM 878 CA HIS A 138 -7.098 -9.779 -2.683 1.00 0.00 C ATOM 879 C HIS A 138 -8.352 -8.937 -3.012 1.00 0.00 C ATOM 880 O HIS A 138 -8.977 -8.361 -2.119 1.00 0.00 O ATOM 881 CB HIS A 138 -7.301 -11.261 -3.052 1.00 0.00 C ATOM 882 CG HIS A 138 -8.443 -11.918 -2.273 1.00 0.00 C ATOM 883 ND1 HIS A 138 -9.741 -11.709 -2.480 1.00 0.00 N ATOM 884 CD2 HIS A 138 -8.315 -12.744 -1.239 1.00 0.00 C ATOM 885 CE1 HIS A 138 -10.415 -12.392 -1.567 1.00 0.00 C ATOM 886 NE2 HIS A 138 -9.536 -13.040 -0.813 1.00 0.00 N ATOM 0 H HIS A 138 -7.468 -9.830 -0.622 1.00 0.00 H new ATOM 0 HA HIS A 138 -6.289 -9.375 -3.292 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -7.504 -11.340 -4.120 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -6.377 -11.807 -2.862 1.00 0.00 H new ATOM 0 HD1 HIS A 138 -10.145 -11.126 -3.213 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -7.387 -13.107 -0.822 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -11.489 -12.417 -1.456 1.00 0.00 H new ATOM 887 N TYR A 139 -8.560 -8.720 -4.304 1.00 0.00 N ATOM 888 CA TYR A 139 -9.801 -8.135 -4.847 1.00 0.00 C ATOM 889 C TYR A 139 -11.077 -8.762 -4.276 1.00 0.00 C ATOM 890 O TYR A 139 -11.380 -9.940 -4.503 1.00 0.00 O ATOM 891 CB TYR A 139 -9.817 -8.217 -6.379 1.00 0.00 C ATOM 892 CG TYR A 139 -9.807 -6.834 -7.062 1.00 0.00 C ATOM 893 CD1 TYR A 139 -10.483 -5.725 -6.499 1.00 0.00 C ATOM 894 CD2 TYR A 139 -9.120 -6.726 -8.289 1.00 0.00 C ATOM 895 CE1 TYR A 139 -10.454 -4.487 -7.180 1.00 0.00 C ATOM 896 CE2 TYR A 139 -9.089 -5.495 -8.957 1.00 0.00 C ATOM 897 CZ TYR A 139 -9.743 -4.379 -8.386 1.00 0.00 C ATOM 898 OH TYR A 139 -9.619 -3.177 -8.990 1.00 0.00 O ATOM 0 H TYR A 139 -7.870 -8.944 -5.021 1.00 0.00 H new ATOM 0 HA TYR A 139 -9.798 -7.091 -4.534 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -8.951 -8.787 -6.715 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -10.703 -8.766 -6.698 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -11.013 -5.823 -5.563 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -8.621 -7.586 -8.711 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -10.974 -3.631 -6.776 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -8.570 -5.399 -9.899 1.00 0.00 H new ATOM 0 HH TYR A 139 -9.057 -3.268 -9.788 1.00 0.00 H new ATOM 899 N GLY A 140 -11.638 -8.001 -3.351 1.00 0.00 N ATOM 900 CA GLY A 140 -12.801 -8.383 -2.536 1.00 0.00 C ATOM 901 C GLY A 140 -12.680 -7.775 -1.133 1.00 0.00 C ATOM 902 O GLY A 140 -13.628 -7.229 -0.592 1.00 0.00 O ATOM 0 H GLY A 140 -11.292 -7.067 -3.132 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -13.719 -8.039 -3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -12.866 -9.469 -2.467 1.00 0.00 H new ATOM 903 N GLN A 141 -11.439 -7.730 -0.645 1.00 0.00 N ATOM 904 CA GLN A 141 -11.098 -7.095 0.634 1.00 0.00 C ATOM 905 C GLN A 141 -11.068 -5.590 0.447 1.00 0.00 C ATOM 906 O GLN A 141 -10.268 -5.021 -0.298 1.00 0.00 O ATOM 907 CB GLN A 141 -9.719 -7.526 1.120 1.00 0.00 C ATOM 908 CG GLN A 141 -9.474 -9.042 1.141 1.00 0.00 C ATOM 909 CD GLN A 141 -10.288 -9.823 2.189 1.00 0.00 C ATOM 910 OE1 GLN A 141 -11.422 -9.541 2.537 1.00 0.00 O ATOM 911 NE2 GLN A 141 -9.711 -10.892 2.661 1.00 0.00 N ATOM 0 H GLN A 141 -10.636 -8.135 -1.127 1.00 0.00 H new ATOM 0 HA GLN A 141 -11.848 -7.395 1.366 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -8.966 -7.062 0.483 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -9.569 -7.136 2.127 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -9.702 -9.444 0.154 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -8.414 -9.220 1.321 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -8.762 -11.130 2.371 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -10.208 -11.491 3.320 1.00 0.00 H new ATOM 912 N LYS A 142 -11.972 -5.006 1.194 1.00 0.00 N ATOM 913 CA LYS A 142 -12.022 -3.544 1.405 1.00 0.00 C ATOM 914 C LYS A 142 -10.676 -2.938 1.818 1.00 0.00 C ATOM 915 O LYS A 142 -10.367 -1.796 1.480 1.00 0.00 O ATOM 916 CB LYS A 142 -13.078 -3.308 2.471 1.00 0.00 C ATOM 917 CG LYS A 142 -14.430 -3.816 1.960 1.00 0.00 C ATOM 918 CD LYS A 142 -15.527 -3.510 2.968 1.00 0.00 C ATOM 919 CE LYS A 142 -15.322 -4.260 4.275 1.00 0.00 C ATOM 920 NZ LYS A 142 -16.191 -3.560 5.219 1.00 0.00 N ATOM 0 H LYS A 142 -12.706 -5.517 1.684 1.00 0.00 H new ATOM 0 HA LYS A 142 -12.268 -3.047 0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -12.806 -3.825 3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -13.141 -2.246 2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -14.664 -3.347 1.004 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -14.379 -4.890 1.784 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -15.551 -2.438 3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -16.495 -3.778 2.544 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -15.598 -5.310 4.181 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -14.280 -4.231 4.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -16.118 -4.007 6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -15.899 -2.564 5.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -17.175 -3.610 4.887 1.00 0.00 H new ATOM 921 N ALA A 143 -9.834 -3.774 2.450 1.00 0.00 N ATOM 922 CA ALA A 143 -8.444 -3.457 2.815 1.00 0.00 C ATOM 923 C ALA A 143 -7.583 -2.896 1.669 1.00 0.00 C ATOM 924 O ALA A 143 -6.900 -1.902 1.875 1.00 0.00 O ATOM 925 CB ALA A 143 -7.776 -4.695 3.428 1.00 0.00 C ATOM 0 H ALA A 143 -10.111 -4.715 2.728 1.00 0.00 H new ATOM 0 HA ALA A 143 -8.506 -2.649 3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -6.747 -4.457 3.697 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -8.323 -5.000 4.320 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -7.783 -5.509 2.703 1.00 0.00 H new ATOM 926 N ILE A 144 -7.775 -3.432 0.456 1.00 0.00 N ATOM 927 CA ILE A 144 -6.930 -3.092 -0.711 1.00 0.00 C ATOM 928 C ILE A 144 -7.327 -1.816 -1.484 1.00 0.00 C ATOM 929 O ILE A 144 -6.587 -1.352 -2.341 1.00 0.00 O ATOM 930 CB ILE A 144 -6.759 -4.306 -1.663 1.00 0.00 C ATOM 931 CG1 ILE A 144 -8.035 -4.758 -2.355 1.00 0.00 C ATOM 932 CG2 ILE A 144 -6.082 -5.421 -0.860 1.00 0.00 C ATOM 933 CD1 ILE A 144 -7.716 -5.559 -3.611 1.00 0.00 C ATOM 0 H ILE A 144 -8.511 -4.107 0.251 1.00 0.00 H new ATOM 0 HA ILE A 144 -5.964 -2.843 -0.273 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.134 -4.006 -2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -8.629 -5.366 -1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -8.639 -3.889 -2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -5.944 -6.295 -1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -5.112 -5.075 -0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -6.708 -5.688 -0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -8.644 -5.872 -4.089 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -7.143 -4.940 -4.301 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -7.132 -6.439 -3.343 1.00 0.00 H new ATOM 934 N LEU A 145 -8.397 -1.158 -1.030 1.00 0.00 N ATOM 935 CA LEU A 145 -9.037 -0.047 -1.758 1.00 0.00 C ATOM 936 C LEU A 145 -8.679 1.363 -1.260 1.00 0.00 C ATOM 937 O LEU A 145 -9.482 1.991 -0.563 1.00 0.00 O ATOM 938 CB LEU A 145 -10.568 -0.249 -1.703 1.00 0.00 C ATOM 939 CG LEU A 145 -11.145 -1.228 -2.729 1.00 0.00 C ATOM 940 CD1 LEU A 145 -10.952 -2.688 -2.321 1.00 0.00 C ATOM 941 CD2 LEU A 145 -12.652 -0.982 -2.843 1.00 0.00 C ATOM 0 H LEU A 145 -8.850 -1.378 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.650 -0.086 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -10.834 -0.598 -0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -11.049 0.719 -1.841 1.00 0.00 H new ATOM 0 HG LEU A 145 -10.621 -1.059 -3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -11.380 -3.339 -3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -9.888 -2.900 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -11.451 -2.869 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -13.079 -1.672 -3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -13.121 -1.142 -1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -12.830 0.043 -3.167 1.00 0.00 H new ATOM 942 N PHE A 146 -7.495 1.869 -1.604 1.00 0.00 N ATOM 943 CA PHE A 146 -7.093 3.247 -1.225 1.00 0.00 C ATOM 944 C PHE A 146 -6.729 4.227 -2.329 1.00 0.00 C ATOM 945 O PHE A 146 -5.974 3.913 -3.247 1.00 0.00 O ATOM 946 CB PHE A 146 -5.993 3.274 -0.147 1.00 0.00 C ATOM 947 CG PHE A 146 -5.001 2.136 -0.258 1.00 0.00 C ATOM 948 CD1 PHE A 146 -4.138 2.061 -1.385 1.00 0.00 C ATOM 949 CD2 PHE A 146 -5.254 0.995 0.538 1.00 0.00 C ATOM 950 CE1 PHE A 146 -3.592 0.818 -1.754 1.00 0.00 C ATOM 951 CE2 PHE A 146 -4.703 -0.246 0.178 1.00 0.00 C ATOM 952 CZ PHE A 146 -3.899 -0.325 -0.982 1.00 0.00 C ATOM 0 H PHE A 146 -6.793 1.359 -2.141 1.00 0.00 H new ATOM 0 HA PHE A 146 -8.041 3.616 -0.834 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -5.456 4.220 -0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -6.461 3.241 0.837 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -3.904 2.950 -1.952 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -5.870 1.078 1.421 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -2.947 0.738 -2.616 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -4.890 -1.125 0.777 1.00 0.00 H new ATOM 0 HZ PHE A 146 -3.509 -1.285 -1.286 1.00 0.00 H new ATOM 953 N LEU A 147 -7.201 5.441 -2.125 1.00 0.00 N ATOM 954 CA LEU A 147 -6.970 6.550 -3.070 1.00 0.00 C ATOM 955 C LEU A 147 -5.645 7.321 -2.854 1.00 0.00 C ATOM 956 O LEU A 147 -5.295 7.689 -1.737 1.00 0.00 O ATOM 957 CB LEU A 147 -8.211 7.447 -3.175 1.00 0.00 C ATOM 958 CG LEU A 147 -8.844 7.877 -1.852 1.00 0.00 C ATOM 959 CD1 LEU A 147 -7.986 8.911 -1.127 1.00 0.00 C ATOM 960 CD2 LEU A 147 -10.210 8.506 -2.129 1.00 0.00 C ATOM 0 H LEU A 147 -7.754 5.700 -1.308 1.00 0.00 H new ATOM 0 HA LEU A 147 -6.820 6.095 -4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.940 8.343 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -8.965 6.922 -3.761 1.00 0.00 H new ATOM 0 HG LEU A 147 -8.935 6.991 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.469 9.192 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -7.005 8.486 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -7.871 9.794 -1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -10.666 8.815 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -10.086 9.375 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -10.853 7.777 -2.622 1.00 0.00 H new ATOM 961 N PRO A 148 -4.853 7.504 -3.922 1.00 0.00 N ATOM 962 CA PRO A 148 -3.644 8.324 -3.857 1.00 0.00 C ATOM 963 C PRO A 148 -3.958 9.813 -3.974 1.00 0.00 C ATOM 964 O PRO A 148 -4.791 10.240 -4.778 1.00 0.00 O ATOM 965 CB PRO A 148 -2.722 7.858 -4.987 1.00 0.00 C ATOM 966 CG PRO A 148 -3.565 6.970 -5.894 1.00 0.00 C ATOM 967 CD PRO A 148 -4.892 6.716 -5.164 1.00 0.00 C ATOM 0 HA PRO A 148 -3.159 8.200 -2.889 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -2.324 8.709 -5.539 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -1.869 7.308 -4.590 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -3.740 7.455 -6.855 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.052 6.031 -6.100 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -5.737 7.014 -5.784 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -5.016 5.655 -4.945 1.00 0.00 H new ATOM 968 N LEU A 149 -3.317 10.543 -3.076 1.00 0.00 N ATOM 969 CA LEU A 149 -3.360 12.013 -3.004 1.00 0.00 C ATOM 970 C LEU A 149 -1.943 12.546 -2.781 1.00 0.00 C ATOM 971 O LEU A 149 -1.255 12.058 -1.871 1.00 0.00 O ATOM 972 CB LEU A 149 -4.284 12.500 -1.877 1.00 0.00 C ATOM 973 CG LEU A 149 -5.770 12.450 -2.265 1.00 0.00 C ATOM 974 CD1 LEU A 149 -6.651 12.590 -1.029 1.00 0.00 C ATOM 975 CD2 LEU A 149 -6.107 13.548 -3.273 1.00 0.00 C ATOM 0 H LEU A 149 -2.732 10.127 -2.351 1.00 0.00 H new ATOM 0 HA LEU A 149 -3.761 12.390 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -4.123 11.887 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -4.017 13.522 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 149 -5.963 11.483 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -7.700 12.552 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -6.439 11.775 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -6.445 13.543 -0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -7.164 13.492 -3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -5.892 14.523 -2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -5.506 13.414 -4.172 1.00 0.00 H new ATOM 976 N PRO A 150 -1.458 13.425 -3.668 1.00 0.00 N ATOM 977 CA PRO A 150 -0.177 14.130 -3.484 1.00 0.00 C ATOM 978 C PRO A 150 -0.303 15.220 -2.407 1.00 0.00 C ATOM 979 O PRO A 150 -0.566 16.388 -2.668 1.00 0.00 O ATOM 980 CB PRO A 150 0.176 14.676 -4.864 1.00 0.00 C ATOM 981 CG PRO A 150 -1.183 14.845 -5.544 1.00 0.00 C ATOM 982 CD PRO A 150 -2.000 13.658 -5.024 1.00 0.00 C ATOM 0 HA PRO A 150 0.619 13.480 -3.120 1.00 0.00 H new ATOM 0 HB2 PRO A 150 0.710 15.624 -4.795 1.00 0.00 H new ATOM 0 HB3 PRO A 150 0.817 13.988 -5.415 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -1.647 15.796 -5.281 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -1.093 14.824 -6.630 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -3.065 13.887 -4.995 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -1.880 12.780 -5.659 1.00 0.00 H new ATOM 983 N VAL A 151 -0.239 14.731 -1.176 1.00 0.00 N ATOM 984 CA VAL A 151 -0.352 15.574 0.034 1.00 0.00 C ATOM 985 C VAL A 151 0.870 15.380 0.941 1.00 0.00 C ATOM 986 O VAL A 151 1.280 14.261 1.205 1.00 0.00 O ATOM 987 CB VAL A 151 -1.663 15.323 0.813 1.00 0.00 C ATOM 988 CG1 VAL A 151 -2.846 15.965 0.076 1.00 0.00 C ATOM 989 CG2 VAL A 151 -1.939 13.849 1.130 1.00 0.00 C ATOM 0 H VAL A 151 -0.107 13.740 -0.975 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.382 16.611 -0.301 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.535 15.799 1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -3.765 15.782 0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -2.682 17.039 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -2.933 15.530 -0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -2.878 13.764 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -2.009 13.284 0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -1.127 13.449 1.738 1.00 0.00 H new ATOM 990 N SER A 152 1.514 16.499 1.246 1.00 0.00 N ATOM 991 CA SER A 152 2.667 16.542 2.165 1.00 0.00 C ATOM 992 C SER A 152 2.211 16.781 3.601 1.00 0.00 C ATOM 993 O SER A 152 2.076 17.921 4.059 1.00 0.00 O ATOM 994 CB SER A 152 3.617 17.686 1.796 1.00 0.00 C ATOM 995 OG SER A 152 4.356 17.384 0.622 1.00 0.00 O ATOM 0 H SER A 152 1.258 17.411 0.867 1.00 0.00 H new ATOM 0 HA SER A 152 3.173 15.581 2.080 1.00 0.00 H new ATOM 0 HB2 SER A 152 3.045 18.601 1.643 1.00 0.00 H new ATOM 0 HB3 SER A 152 4.303 17.873 2.622 1.00 0.00 H new ATOM 0 HG SER A 152 4.952 18.132 0.409 1.00 0.00 H new ATOM 996 N SER A 153 1.825 15.698 4.256 1.00 0.00 N ATOM 997 CA SER A 153 1.380 15.748 5.659 1.00 0.00 C ATOM 998 C SER A 153 2.510 16.217 6.588 1.00 0.00 C ATOM 999 O SER A 153 3.570 15.602 6.687 1.00 0.00 O ATOM 1000 CB SER A 153 0.913 14.362 6.097 1.00 0.00 C ATOM 1001 OG SER A 153 -0.047 13.877 5.144 1.00 0.00 O ATOM 0 H SER A 153 1.807 14.765 3.845 1.00 0.00 H new ATOM 0 HA SER A 153 0.559 16.462 5.727 1.00 0.00 H new ATOM 0 HB2 SER A 153 1.761 13.680 6.160 1.00 0.00 H new ATOM 0 HB3 SER A 153 0.468 14.410 7.091 1.00 0.00 H new ATOM 0 HG SER A 153 -0.175 12.914 5.270 1.00 0.00 H new ATOM 1002 N ASP A 154 2.388 17.483 6.978 1.00 0.00 N ATOM 1003 CA ASP A 154 3.309 18.157 7.909 1.00 0.00 C ATOM 1004 C ASP A 154 4.788 18.215 7.443 1.00 0.00 C ATOM 1005 O ASP A 154 5.081 19.165 6.692 1.00 0.00 O ATOM 1006 CB ASP A 154 3.131 17.528 9.299 1.00 0.00 C ATOM 1007 CG ASP A 154 3.457 18.539 10.398 1.00 0.00 C ATOM 1008 OD1 ASP A 154 2.734 19.555 10.429 1.00 0.00 O ATOM 1009 OD2 ASP A 154 4.462 18.316 11.101 1.00 0.00 O ATOM 1010 OXT ASP A 154 5.611 17.392 7.928 1.00 0.00 O ATOM 0 H ASP A 154 1.633 18.087 6.653 1.00 0.00 H new ATOM 0 HA ASP A 154 3.039 19.213 7.944 1.00 0.00 H new ATOM 0 HB2 ASP A 154 2.106 17.176 9.415 1.00 0.00 H new ATOM 0 HB3 ASP A 154 3.780 16.658 9.395 1.00 0.00 H new TER 1011 ASP A 154