USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 838 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 73 HIS : no HE2:sc= -0.235 K(o=4,f=1.3!) USER MOD Set 1.2: A 77 CYS SG : rot -172:sc= 1.34 USER MOD Set 1.3: A 82 CYS SG : rot 113:sc= 0.597 USER MOD Set 1.4: A 85 CYS SG : rot 113:sc= 0.999 USER MOD Set 1.5: B 130 GLN : amide:sc= 1.26 K(o=4,f=3) USER MOD Set 2.1: A 66 SER OG : rot 82:sc= 0.834 USER MOD Set 2.2: B 123 CYS SG : rot 81:sc= 0.235 USER MOD Set 3.1: A 57 LYS NZ :NH3+ 178:sc= 2.18 (180deg=1.09) USER MOD Set 3.2: B 120 SER OG : rot -140:sc= 0.851 USER MOD Set 4.1: A 49 HIS : no HE2:sc= -0.732 K(o=2.1,f=1.4) USER MOD Set 4.2: A 53 CYS SG : rot -160:sc= 1.53 USER MOD Set 4.3: A 59 CYS SG : rot 138:sc= 0.226 USER MOD Set 4.4: A 64 CYS SG : rot -105:sc= 1.07 USER MOD Set 5.1: A 51 THR OG1 : rot 71:sc= 0 USER MOD Set 5.2: A 52 HIS : no HE2:sc= 1.18 K(o=1.2,f=-3.7!) USER MOD Set 6.1: A 18 HIS :FLIP no HD1:sc= -0.301 F(o=-0.28,f=3.2) USER MOD Set 6.2: A 22 CYS SG : rot 176:sc= 1.12 USER MOD Set 6.3: A 40 CYS SG : rot 109:sc= 0.681 USER MOD Set 6.4: A 44 LYS NZ :NH3+ 170:sc= 1.73 (180deg=0) USER MOD Set 7.1: A 12 GLN : amide:sc= 0.691 X(o=1.5,f=1.1) USER MOD Set 7.2: A 43 MET CE :methyl -174:sc= -0.0556 (180deg=-0.0178) USER MOD Set 7.3: A 63 HIS : no HE2:sc= 0.824 K(o=1.5,f=-5!) USER MOD Single : A 1 ALA N :NH3+ -116:sc= 0.0833 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1.22) USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.23) USER MOD Single : A 10 GLN : amide:sc= 0.89 K(o=0.89,f=-6.5!) USER MOD Single : A 11 GLN : amide:sc= 0.501 K(o=0.5,f=0) USER MOD Single : A 20 HIS : no HD1:sc= 1.14 K(o=1.1,f=-3.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.34) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.895 K(o=0.9,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -177:sc= -0.762 (180deg=-0.77) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -80:sc= 1.22 USER MOD Single : A 69 GLN : amide:sc= -0.731 X(o=-0.73,f=-0.45) USER MOD Single : A 72 SER OG : rot 72:sc= 2.05 USER MOD Single : A 75 LYS NZ :NH3+ -165:sc= 1.02 (180deg=0.861) USER MOD Single : A 76 ASN : amide:sc= 0.977 K(o=0.98,f=0) USER MOD Single : A 78 THR OG1 : rot -43:sc= 0.118 USER MOD Single : A 80 HIS : no HE2:sc= 0.624 K(o=0.62,f=-3.1!) USER MOD Single : A 89 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00254) USER MOD Single : B 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 119 THR OG1 : rot 180:sc= 0.0178 USER MOD Single : B 121 TYR OH : rot 180:sc= 0 USER MOD Single : B 126 ASN : amide:sc= 1.78 K(o=1.8,f=-3.9!) USER MOD Single : B 137 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.6) USER MOD Single : B 147 GLN : amide:sc= 1.67 K(o=1.7,f=-0.49) USER MOD Single : B 149 ASN : amide:sc= 0.0582 X(o=0.058,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.030 -11.873 16.035 1.00 0.00 N ATOM 2 CA ALA A 1 5.311 -10.616 15.708 1.00 0.00 C ATOM 3 C ALA A 1 5.446 -9.600 16.852 1.00 0.00 C ATOM 4 O ALA A 1 5.767 -9.970 17.983 1.00 0.00 O ATOM 5 CB ALA A 1 3.846 -10.900 15.337 1.00 0.00 C ATOM 0 H1 ALA A 1 6.810 -12.012 15.362 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.412 -11.813 17.000 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.372 -12.676 15.972 1.00 0.00 H new ATOM 0 HA ALA A 1 5.773 -10.167 14.829 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.342 -9.963 15.102 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.812 -11.558 14.469 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.345 -11.381 16.177 1.00 0.00 H new ATOM 13 N ASP A 2 5.242 -8.309 16.568 1.00 0.00 N ATOM 14 CA ASP A 2 5.410 -7.190 17.509 1.00 0.00 C ATOM 15 C ASP A 2 4.383 -6.054 17.251 1.00 0.00 C ATOM 16 O ASP A 2 4.128 -5.720 16.090 1.00 0.00 O ATOM 17 CB ASP A 2 6.862 -6.707 17.355 1.00 0.00 C ATOM 18 CG ASP A 2 7.176 -5.463 18.185 1.00 0.00 C ATOM 19 OD1 ASP A 2 6.974 -4.348 17.657 1.00 0.00 O ATOM 20 OD2 ASP A 2 7.620 -5.599 19.349 1.00 0.00 O ATOM 0 H ASP A 2 4.944 -8.001 15.642 1.00 0.00 H new ATOM 0 HA ASP A 2 5.219 -7.512 18.533 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.538 -7.511 17.647 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.057 -6.493 16.304 1.00 0.00 H new ATOM 25 N PRO A 3 3.775 -5.441 18.292 1.00 0.00 N ATOM 26 CA PRO A 3 2.766 -4.385 18.138 1.00 0.00 C ATOM 27 C PRO A 3 3.291 -3.112 17.455 1.00 0.00 C ATOM 28 O PRO A 3 2.578 -2.514 16.648 1.00 0.00 O ATOM 29 CB PRO A 3 2.221 -4.111 19.545 1.00 0.00 C ATOM 30 CG PRO A 3 3.357 -4.553 20.464 1.00 0.00 C ATOM 31 CD PRO A 3 3.972 -5.729 19.707 1.00 0.00 C ATOM 0 HA PRO A 3 1.979 -4.721 17.463 1.00 0.00 H new ATOM 0 HB2 PRO A 3 1.981 -3.057 19.683 1.00 0.00 H new ATOM 0 HB3 PRO A 3 1.308 -4.674 19.738 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.080 -3.754 20.625 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.989 -4.852 21.445 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.032 -5.832 19.941 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.491 -6.667 19.985 1.00 0.00 H new ATOM 39 N GLU A 4 4.537 -2.705 17.723 1.00 0.00 N ATOM 40 CA GLU A 4 5.179 -1.567 17.053 1.00 0.00 C ATOM 41 C GLU A 4 5.304 -1.882 15.554 1.00 0.00 C ATOM 42 O GLU A 4 4.808 -1.125 14.722 1.00 0.00 O ATOM 43 CB GLU A 4 6.549 -1.236 17.681 1.00 0.00 C ATOM 44 CG GLU A 4 6.743 0.258 17.964 1.00 0.00 C ATOM 45 CD GLU A 4 6.059 0.684 19.277 1.00 0.00 C ATOM 46 OE1 GLU A 4 6.635 0.460 20.371 1.00 0.00 O ATOM 47 OE2 GLU A 4 4.953 1.273 19.224 1.00 0.00 O ATOM 0 H GLU A 4 5.133 -3.159 18.416 1.00 0.00 H new ATOM 0 HA GLU A 4 4.561 -0.678 17.183 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.657 -1.792 18.612 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.339 -1.577 17.012 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.808 0.482 18.019 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.337 0.841 17.137 1.00 0.00 H new ATOM 54 N LYS A 5 5.897 -3.032 15.195 1.00 0.00 N ATOM 55 CA LYS A 5 5.991 -3.501 13.797 1.00 0.00 C ATOM 56 C LYS A 5 4.622 -3.533 13.116 1.00 0.00 C ATOM 57 O LYS A 5 4.523 -3.133 11.958 1.00 0.00 O ATOM 58 CB LYS A 5 6.696 -4.860 13.675 1.00 0.00 C ATOM 59 CG LYS A 5 8.199 -4.763 13.974 1.00 0.00 C ATOM 60 CD LYS A 5 8.900 -6.102 13.695 1.00 0.00 C ATOM 61 CE LYS A 5 10.397 -6.061 14.034 1.00 0.00 C ATOM 62 NZ LYS A 5 11.182 -5.262 13.057 1.00 0.00 N ATOM 0 H LYS A 5 6.327 -3.667 15.867 1.00 0.00 H new ATOM 0 HA LYS A 5 6.610 -2.772 13.275 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.236 -5.569 14.363 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.552 -5.253 12.668 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.646 -3.979 13.362 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.349 -4.479 15.016 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.420 -6.889 14.277 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.775 -6.362 12.644 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.529 -5.641 15.031 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.787 -7.078 14.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.169 -5.195 13.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.150 -5.724 12.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.777 -4.307 12.984 1.00 0.00 H new ATOM 76 N ARG A 6 3.557 -3.947 13.816 1.00 0.00 N ATOM 77 CA ARG A 6 2.183 -3.948 13.282 1.00 0.00 C ATOM 78 C ARG A 6 1.766 -2.530 12.880 1.00 0.00 C ATOM 79 O ARG A 6 1.339 -2.327 11.747 1.00 0.00 O ATOM 80 CB ARG A 6 1.194 -4.580 14.276 1.00 0.00 C ATOM 81 CG ARG A 6 -0.079 -5.056 13.553 1.00 0.00 C ATOM 82 CD ARG A 6 -1.262 -5.208 14.514 1.00 0.00 C ATOM 83 NE ARG A 6 -1.803 -3.885 14.882 1.00 0.00 N ATOM 84 CZ ARG A 6 -2.492 -3.538 15.949 1.00 0.00 C ATOM 85 NH1 ARG A 6 -2.822 -4.386 16.882 1.00 0.00 N ATOM 86 NH2 ARG A 6 -2.864 -2.301 16.083 1.00 0.00 N ATOM 0 H ARG A 6 3.622 -4.293 14.773 1.00 0.00 H new ATOM 0 HA ARG A 6 2.163 -4.568 12.385 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.667 -5.422 14.781 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.931 -3.854 15.045 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.338 -4.345 12.769 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.117 -6.011 13.065 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.042 -5.809 14.047 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.944 -5.739 15.411 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.617 -3.135 14.217 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.545 -5.365 16.803 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.357 -4.071 17.691 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.622 -1.615 15.368 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.398 -2.015 16.903 1.00 0.00 H new ATOM 100 N LYS A 7 1.916 -1.542 13.770 1.00 0.00 N ATOM 101 CA LYS A 7 1.603 -0.124 13.495 1.00 0.00 C ATOM 102 C LYS A 7 2.440 0.446 12.337 1.00 0.00 C ATOM 103 O LYS A 7 1.913 1.173 11.497 1.00 0.00 O ATOM 104 CB LYS A 7 1.634 0.696 14.798 1.00 0.00 C ATOM 105 CG LYS A 7 2.841 1.624 15.021 1.00 0.00 C ATOM 106 CD LYS A 7 2.890 2.020 16.498 1.00 0.00 C ATOM 107 CE LYS A 7 3.803 3.228 16.738 1.00 0.00 C ATOM 108 NZ LYS A 7 3.820 3.582 18.178 1.00 0.00 N ATOM 0 H LYS A 7 2.263 -1.701 14.716 1.00 0.00 H new ATOM 0 HA LYS A 7 0.580 -0.050 13.127 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.730 1.304 14.835 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.585 0.000 15.635 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.764 1.119 14.734 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.756 2.512 14.395 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.883 2.252 16.845 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.244 1.175 17.089 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.814 3.001 16.400 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.454 4.078 16.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.402 4.432 18.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.849 3.769 18.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.221 2.793 18.725 1.00 0.00 H new ATOM 122 N LEU A 8 3.723 0.083 12.255 1.00 0.00 N ATOM 123 CA LEU A 8 4.632 0.446 11.158 1.00 0.00 C ATOM 124 C LEU A 8 4.106 -0.113 9.821 1.00 0.00 C ATOM 125 O LEU A 8 4.016 0.622 8.836 1.00 0.00 O ATOM 126 CB LEU A 8 6.061 -0.035 11.482 1.00 0.00 C ATOM 127 CG LEU A 8 6.729 0.683 12.673 1.00 0.00 C ATOM 128 CD1 LEU A 8 8.074 0.031 13.000 1.00 0.00 C ATOM 129 CD2 LEU A 8 6.941 2.171 12.405 1.00 0.00 C ATOM 0 H LEU A 8 4.174 -0.488 12.970 1.00 0.00 H new ATOM 0 HA LEU A 8 4.671 1.530 11.053 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.031 -1.104 11.691 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.684 0.100 10.598 1.00 0.00 H new ATOM 0 HG LEU A 8 6.052 0.587 13.522 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.534 0.548 13.842 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.917 -1.016 13.259 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.730 0.096 12.132 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.414 2.633 13.272 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.582 2.296 11.532 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.979 2.648 12.219 1.00 0.00 H new ATOM 141 N ILE A 9 3.712 -1.393 9.790 1.00 0.00 N ATOM 142 CA ILE A 9 3.086 -2.067 8.639 1.00 0.00 C ATOM 143 C ILE A 9 1.785 -1.341 8.253 1.00 0.00 C ATOM 144 O ILE A 9 1.629 -0.970 7.091 1.00 0.00 O ATOM 145 CB ILE A 9 2.887 -3.575 8.935 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.260 -4.287 8.932 1.00 0.00 C ATOM 147 CG2 ILE A 9 1.960 -4.256 7.911 1.00 0.00 C ATOM 148 CD1 ILE A 9 4.251 -5.641 9.646 1.00 0.00 C ATOM 0 H ILE A 9 3.823 -2.012 10.593 1.00 0.00 H new ATOM 0 HA ILE A 9 3.745 -2.014 7.773 1.00 0.00 H new ATOM 0 HB ILE A 9 2.414 -3.656 9.914 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.582 -4.432 7.901 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.996 -3.640 9.408 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.853 -5.311 8.162 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.981 -3.777 7.931 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.389 -4.163 6.913 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.247 -6.081 9.604 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.960 -5.501 10.687 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.539 -6.306 9.156 1.00 0.00 H new ATOM 160 N GLN A 10 0.874 -1.094 9.206 1.00 0.00 N ATOM 161 CA GLN A 10 -0.381 -0.343 9.008 1.00 0.00 C ATOM 162 C GLN A 10 -0.124 1.003 8.312 1.00 0.00 C ATOM 163 O GLN A 10 -0.764 1.317 7.306 1.00 0.00 O ATOM 164 CB GLN A 10 -1.099 -0.108 10.351 1.00 0.00 C ATOM 165 CG GLN A 10 -1.768 -1.363 10.924 1.00 0.00 C ATOM 166 CD GLN A 10 -2.419 -1.101 12.278 1.00 0.00 C ATOM 167 OE1 GLN A 10 -1.913 -1.473 13.331 1.00 0.00 O ATOM 168 NE2 GLN A 10 -3.570 -0.464 12.314 1.00 0.00 N ATOM 0 H GLN A 10 0.991 -1.420 10.165 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.022 -0.947 8.365 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.379 0.271 11.076 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.855 0.666 10.218 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.522 -1.723 10.224 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.025 -2.154 11.027 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.005 -0.147 11.447 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.027 -0.287 13.208 1.00 0.00 H new ATOM 177 N GLN A 11 0.828 1.787 8.833 1.00 0.00 N ATOM 178 CA GLN A 11 1.254 3.067 8.267 1.00 0.00 C ATOM 179 C GLN A 11 1.716 2.886 6.813 1.00 0.00 C ATOM 180 O GLN A 11 1.141 3.497 5.917 1.00 0.00 O ATOM 181 CB GLN A 11 2.342 3.695 9.157 1.00 0.00 C ATOM 182 CG GLN A 11 2.727 5.103 8.685 1.00 0.00 C ATOM 183 CD GLN A 11 3.933 5.644 9.440 1.00 0.00 C ATOM 184 OE1 GLN A 11 3.862 5.996 10.606 1.00 0.00 O ATOM 185 NE2 GLN A 11 5.078 5.731 8.796 1.00 0.00 N ATOM 0 H GLN A 11 1.335 1.539 9.683 1.00 0.00 H new ATOM 0 HA GLN A 11 0.410 3.756 8.245 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.986 3.742 10.186 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.226 3.057 9.154 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.947 5.081 7.618 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.881 5.776 8.822 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.138 5.437 7.821 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.905 6.092 9.272 1.00 0.00 H new ATOM 194 N GLN A 12 2.723 2.040 6.565 1.00 0.00 N ATOM 195 CA GLN A 12 3.252 1.728 5.227 1.00 0.00 C ATOM 196 C GLN A 12 2.143 1.343 4.231 1.00 0.00 C ATOM 197 O GLN A 12 2.152 1.832 3.102 1.00 0.00 O ATOM 198 CB GLN A 12 4.316 0.620 5.329 1.00 0.00 C ATOM 199 CG GLN A 12 5.645 1.106 5.934 1.00 0.00 C ATOM 200 CD GLN A 12 6.524 1.821 4.914 1.00 0.00 C ATOM 201 OE1 GLN A 12 7.375 1.237 4.253 1.00 0.00 O ATOM 202 NE2 GLN A 12 6.380 3.117 4.762 1.00 0.00 N ATOM 0 H GLN A 12 3.208 1.538 7.309 1.00 0.00 H new ATOM 0 HA GLN A 12 3.716 2.633 4.835 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.924 -0.195 5.937 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.504 0.214 4.335 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.437 1.780 6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.188 0.254 6.342 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.677 3.619 5.304 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.971 3.622 4.102 1.00 0.00 H new ATOM 211 N LEU A 13 1.183 0.505 4.639 1.00 0.00 N ATOM 212 CA LEU A 13 0.035 0.064 3.850 1.00 0.00 C ATOM 213 C LEU A 13 -0.772 1.279 3.360 1.00 0.00 C ATOM 214 O LEU A 13 -0.918 1.484 2.156 1.00 0.00 O ATOM 215 CB LEU A 13 -0.773 -0.960 4.688 1.00 0.00 C ATOM 216 CG LEU A 13 -1.510 -2.020 3.853 1.00 0.00 C ATOM 217 CD1 LEU A 13 -1.952 -3.215 4.697 1.00 0.00 C ATOM 218 CD2 LEU A 13 -2.717 -1.451 3.132 1.00 0.00 C ATOM 0 H LEU A 13 1.189 0.098 5.574 1.00 0.00 H new ATOM 0 HA LEU A 13 0.345 -0.450 2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.095 -1.464 5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.501 -0.421 5.295 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.786 -2.358 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.468 -3.937 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.078 -3.686 5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.626 -2.876 5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.202 -2.239 2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.420 -1.049 3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.397 -0.655 2.459 1.00 0.00 H new ATOM 230 N VAL A 14 -1.256 2.114 4.283 1.00 0.00 N ATOM 231 CA VAL A 14 -2.025 3.332 3.982 1.00 0.00 C ATOM 232 C VAL A 14 -1.205 4.362 3.187 1.00 0.00 C ATOM 233 O VAL A 14 -1.726 4.920 2.221 1.00 0.00 O ATOM 234 CB VAL A 14 -2.651 3.897 5.271 1.00 0.00 C ATOM 235 CG1 VAL A 14 -3.359 5.243 5.065 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.692 2.900 5.803 1.00 0.00 C ATOM 0 H VAL A 14 -1.123 1.962 5.283 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.848 3.067 3.318 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.830 4.052 5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.777 5.583 6.013 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.643 5.979 4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.161 5.124 4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.139 3.293 6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.469 2.750 5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.207 1.948 6.018 1.00 0.00 H new ATOM 246 N LEU A 15 0.068 4.604 3.530 1.00 0.00 N ATOM 247 CA LEU A 15 0.950 5.512 2.777 1.00 0.00 C ATOM 248 C LEU A 15 1.087 5.070 1.309 1.00 0.00 C ATOM 249 O LEU A 15 0.942 5.888 0.402 1.00 0.00 O ATOM 250 CB LEU A 15 2.357 5.615 3.396 1.00 0.00 C ATOM 251 CG LEU A 15 2.525 6.322 4.749 1.00 0.00 C ATOM 252 CD1 LEU A 15 4.023 6.435 5.037 1.00 0.00 C ATOM 253 CD2 LEU A 15 1.935 7.724 4.751 1.00 0.00 C ATOM 0 H LEU A 15 0.518 4.175 4.339 1.00 0.00 H new ATOM 0 HA LEU A 15 0.477 6.493 2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.744 4.602 3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.997 6.126 2.676 1.00 0.00 H new ATOM 0 HG LEU A 15 1.999 5.738 5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.173 6.934 5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.462 5.438 5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.503 7.013 4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.081 8.179 5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.432 8.329 3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.869 7.670 4.531 1.00 0.00 H new ATOM 265 N LEU A 16 1.371 3.786 1.066 1.00 0.00 N ATOM 266 CA LEU A 16 1.508 3.204 -0.273 1.00 0.00 C ATOM 267 C LEU A 16 0.222 3.378 -1.100 1.00 0.00 C ATOM 268 O LEU A 16 0.274 3.775 -2.265 1.00 0.00 O ATOM 269 CB LEU A 16 1.920 1.729 -0.139 1.00 0.00 C ATOM 270 CG LEU A 16 2.190 1.045 -1.488 1.00 0.00 C ATOM 271 CD1 LEU A 16 3.368 1.687 -2.211 1.00 0.00 C ATOM 272 CD2 LEU A 16 2.539 -0.420 -1.255 1.00 0.00 C ATOM 0 H LEU A 16 1.515 3.107 1.813 1.00 0.00 H new ATOM 0 HA LEU A 16 2.288 3.734 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.816 1.665 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.133 1.186 0.384 1.00 0.00 H new ATOM 0 HG LEU A 16 1.290 1.148 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.532 1.179 -3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.153 2.740 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.263 1.602 -1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.730 -0.905 -2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.429 -0.487 -0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.707 -0.917 -0.756 1.00 0.00 H new ATOM 284 N LEU A 17 -0.935 3.105 -0.492 1.00 0.00 N ATOM 285 CA LEU A 17 -2.252 3.302 -1.105 1.00 0.00 C ATOM 286 C LEU A 17 -2.451 4.781 -1.482 1.00 0.00 C ATOM 287 O LEU A 17 -2.808 5.074 -2.627 1.00 0.00 O ATOM 288 CB LEU A 17 -3.347 2.786 -0.160 1.00 0.00 C ATOM 289 CG LEU A 17 -3.331 1.255 0.007 1.00 0.00 C ATOM 290 CD1 LEU A 17 -4.179 0.884 1.218 1.00 0.00 C ATOM 291 CD2 LEU A 17 -3.887 0.521 -1.209 1.00 0.00 C ATOM 0 H LEU A 17 -0.984 2.734 0.457 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.318 2.727 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.225 3.253 0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.321 3.094 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.291 0.954 0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.176 -0.198 1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.767 1.357 2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.202 1.228 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.850 -0.554 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.920 0.826 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.289 0.766 -2.087 1.00 0.00 H new ATOM 303 N HIS A 18 -2.180 5.707 -0.551 1.00 0.00 N ATOM 304 CA HIS A 18 -2.230 7.149 -0.811 1.00 0.00 C ATOM 305 C HIS A 18 -1.334 7.510 -2.005 1.00 0.00 C ATOM 306 O HIS A 18 -1.819 8.174 -2.910 1.00 0.00 O ATOM 307 CB HIS A 18 -1.885 7.988 0.435 1.00 0.00 C ATOM 308 CG HIS A 18 -1.903 9.482 0.159 1.00 0.00 C ATOM 309 ND1 HIS A 18 -0.940 10.179 -0.522 1.00 0.00 N flip ATOM 310 CD2 HIS A 18 -2.914 10.375 0.452 1.00 0.00 C flip ATOM 311 CE1 HIS A 18 -1.370 11.505 -0.677 1.00 0.00 C flip ATOM 312 NE2 HIS A 18 -2.564 11.574 -0.059 1.00 0.00 N flip ATOM 0 H HIS A 18 -1.919 5.473 0.407 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.260 7.399 -1.066 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.596 7.761 1.229 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.898 7.702 0.799 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.822 10.154 0.993 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.851 12.304 -1.186 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.129 12.420 0.013 1.00 0.00 H new ATOM 320 N ALA A 19 -0.066 7.077 -2.045 1.00 0.00 N ATOM 321 CA ALA A 19 0.888 7.362 -3.128 1.00 0.00 C ATOM 322 C ALA A 19 0.276 7.224 -4.539 1.00 0.00 C ATOM 323 O ALA A 19 0.389 8.135 -5.364 1.00 0.00 O ATOM 324 CB ALA A 19 2.142 6.500 -2.948 1.00 0.00 C ATOM 0 H ALA A 19 0.336 6.503 -1.304 1.00 0.00 H new ATOM 0 HA ALA A 19 1.169 8.412 -3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.848 6.712 -3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.605 6.728 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.866 5.446 -2.977 1.00 0.00 H new ATOM 330 N HIS A 20 -0.408 6.104 -4.819 1.00 0.00 N ATOM 331 CA HIS A 20 -1.123 5.881 -6.087 1.00 0.00 C ATOM 332 C HIS A 20 -2.373 6.776 -6.208 1.00 0.00 C ATOM 333 O HIS A 20 -2.553 7.442 -7.230 1.00 0.00 O ATOM 334 CB HIS A 20 -1.452 4.392 -6.248 1.00 0.00 C ATOM 335 CG HIS A 20 -2.325 4.113 -7.451 1.00 0.00 C ATOM 336 ND1 HIS A 20 -1.890 4.016 -8.762 1.00 0.00 N ATOM 337 CD2 HIS A 20 -3.691 4.024 -7.448 1.00 0.00 C ATOM 338 CE1 HIS A 20 -2.981 3.872 -9.543 1.00 0.00 C ATOM 339 NE2 HIS A 20 -4.086 3.879 -8.767 1.00 0.00 N ATOM 0 H HIS A 20 -0.482 5.322 -4.168 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.468 6.171 -6.909 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.524 3.827 -6.339 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.955 4.036 -5.349 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.337 4.060 -6.583 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.972 3.768 -10.618 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.047 3.792 -9.096 1.00 0.00 H new ATOM 348 N LYS A 21 -3.233 6.812 -5.179 1.00 0.00 N ATOM 349 CA LYS A 21 -4.457 7.643 -5.123 1.00 0.00 C ATOM 350 C LYS A 21 -4.163 9.123 -5.429 1.00 0.00 C ATOM 351 O LYS A 21 -4.905 9.748 -6.177 1.00 0.00 O ATOM 352 CB LYS A 21 -5.144 7.472 -3.755 1.00 0.00 C ATOM 353 CG LYS A 21 -6.608 7.955 -3.768 1.00 0.00 C ATOM 354 CD LYS A 21 -7.159 8.234 -2.361 1.00 0.00 C ATOM 355 CE LYS A 21 -7.205 6.979 -1.482 1.00 0.00 C ATOM 356 NZ LYS A 21 -7.800 7.277 -0.151 1.00 0.00 N ATOM 0 H LYS A 21 -3.098 6.251 -4.338 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.139 7.298 -5.900 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.113 6.422 -3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.588 8.028 -3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.680 8.862 -4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.229 7.202 -4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.540 8.989 -1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.163 8.650 -2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.789 6.204 -1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.197 6.585 -1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.819 6.410 0.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.228 7.999 0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.770 7.631 -0.276 1.00 0.00 H new ATOM 370 N CYS A 22 -3.083 9.663 -4.870 1.00 0.00 N ATOM 371 CA CYS A 22 -2.553 11.017 -5.000 1.00 0.00 C ATOM 372 C CYS A 22 -2.344 11.418 -6.474 1.00 0.00 C ATOM 373 O CYS A 22 -3.021 12.322 -6.978 1.00 0.00 O ATOM 374 CB CYS A 22 -1.267 11.049 -4.158 1.00 0.00 C ATOM 375 SG CYS A 22 -0.580 12.714 -3.974 1.00 0.00 S ATOM 0 H CYS A 22 -2.497 9.104 -4.250 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.256 11.764 -4.631 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.476 10.637 -3.171 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.521 10.403 -4.621 1.00 0.00 H new ATOM 0 HG CYS A 22 0.452 12.673 -3.184 1.00 0.00 H new ATOM 627 N HIS A 39 5.285 11.826 3.685 1.00 0.00 N ATOM 628 CA HIS A 39 6.012 10.635 3.203 1.00 0.00 C ATOM 629 C HIS A 39 5.522 10.072 1.855 1.00 0.00 C ATOM 630 O HIS A 39 6.177 9.191 1.293 1.00 0.00 O ATOM 631 CB HIS A 39 6.038 9.575 4.317 1.00 0.00 C ATOM 632 CG HIS A 39 6.710 10.026 5.601 1.00 0.00 C ATOM 633 ND1 HIS A 39 6.614 9.388 6.827 1.00 0.00 N ATOM 634 CD2 HIS A 39 7.491 11.140 5.773 1.00 0.00 C ATOM 635 CE1 HIS A 39 7.282 10.132 7.731 1.00 0.00 C ATOM 636 NE2 HIS A 39 7.835 11.195 7.112 1.00 0.00 N ATOM 0 HA HIS A 39 7.030 10.953 2.977 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.014 9.279 4.543 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.552 8.688 3.945 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.783 11.843 5.007 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.362 9.912 8.785 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.407 11.914 7.554 1.00 0.00 H new ATOM 645 N CYS A 40 4.396 10.567 1.333 1.00 0.00 N ATOM 646 CA CYS A 40 3.789 10.202 0.050 1.00 0.00 C ATOM 647 C CYS A 40 4.826 10.144 -1.096 1.00 0.00 C ATOM 648 O CYS A 40 4.969 9.108 -1.751 1.00 0.00 O ATOM 649 CB CYS A 40 2.659 11.209 -0.211 1.00 0.00 C ATOM 650 SG CYS A 40 1.967 11.038 -1.879 1.00 0.00 S ATOM 0 H CYS A 40 3.851 11.276 1.824 1.00 0.00 H new ATOM 0 HA CYS A 40 3.382 9.192 0.091 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.869 11.066 0.526 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.039 12.222 -0.078 1.00 0.00 H new ATOM 0 HG CYS A 40 0.771 10.535 -1.803 1.00 0.00 H new ATOM 655 N ARG A 41 5.595 11.225 -1.315 1.00 0.00 N ATOM 656 CA ARG A 41 6.659 11.313 -2.338 1.00 0.00 C ATOM 657 C ARG A 41 7.658 10.152 -2.246 1.00 0.00 C ATOM 658 O ARG A 41 8.018 9.561 -3.266 1.00 0.00 O ATOM 659 CB ARG A 41 7.347 12.687 -2.265 1.00 0.00 C ATOM 660 CG ARG A 41 8.215 12.948 -3.510 1.00 0.00 C ATOM 661 CD ARG A 41 8.944 14.297 -3.447 1.00 0.00 C ATOM 662 NE ARG A 41 8.015 15.443 -3.512 1.00 0.00 N ATOM 663 CZ ARG A 41 8.327 16.724 -3.420 1.00 0.00 C ATOM 664 NH1 ARG A 41 9.554 17.130 -3.253 1.00 0.00 N ATOM 665 NH2 ARG A 41 7.400 17.635 -3.495 1.00 0.00 N ATOM 0 H ARG A 41 5.494 12.084 -0.774 1.00 0.00 H new ATOM 0 HA ARG A 41 6.194 11.218 -3.319 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.593 13.469 -2.175 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.967 12.738 -1.370 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.948 12.147 -3.612 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.586 12.920 -4.400 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.521 14.352 -2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.655 14.362 -4.271 1.00 0.00 H new ATOM 0 HE ARG A 41 7.028 15.223 -3.642 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.312 16.450 -3.189 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.757 18.127 -3.186 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.426 17.362 -3.626 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.648 18.622 -3.423 1.00 0.00 H new ATOM 679 N THR A 42 8.089 9.797 -1.035 1.00 0.00 N ATOM 680 CA THR A 42 8.982 8.654 -0.778 1.00 0.00 C ATOM 681 C THR A 42 8.315 7.358 -1.245 1.00 0.00 C ATOM 682 O THR A 42 8.915 6.589 -1.998 1.00 0.00 O ATOM 683 CB THR A 42 9.391 8.558 0.703 1.00 0.00 C ATOM 684 OG1 THR A 42 9.762 9.834 1.188 1.00 0.00 O ATOM 685 CG2 THR A 42 10.600 7.638 0.879 1.00 0.00 C ATOM 0 H THR A 42 7.826 10.300 -0.188 1.00 0.00 H new ATOM 0 HA THR A 42 9.898 8.811 -1.347 1.00 0.00 H new ATOM 0 HB THR A 42 8.535 8.164 1.251 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.019 9.763 2.131 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.868 7.588 1.934 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.353 6.639 0.519 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.442 8.031 0.309 1.00 0.00 H new ATOM 693 N MET A 43 7.052 7.125 -0.866 1.00 0.00 N ATOM 694 CA MET A 43 6.279 5.970 -1.339 1.00 0.00 C ATOM 695 C MET A 43 6.090 5.974 -2.868 1.00 0.00 C ATOM 696 O MET A 43 6.157 4.906 -3.467 1.00 0.00 O ATOM 697 CB MET A 43 4.936 5.832 -0.619 1.00 0.00 C ATOM 698 CG MET A 43 5.042 5.419 0.850 1.00 0.00 C ATOM 699 SD MET A 43 5.966 3.899 1.225 1.00 0.00 S ATOM 700 CE MET A 43 7.557 4.602 1.738 1.00 0.00 C ATOM 0 H MET A 43 6.539 7.730 -0.225 1.00 0.00 H new ATOM 0 HA MET A 43 6.874 5.092 -1.088 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.407 6.783 -0.678 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.329 5.096 -1.147 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.505 6.239 1.398 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.031 5.305 1.242 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.275 3.798 1.901 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.929 5.268 0.959 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.425 5.163 2.663 1.00 0.00 H new ATOM 710 N LYS A 44 5.897 7.124 -3.536 1.00 0.00 N ATOM 711 CA LYS A 44 5.816 7.213 -5.014 1.00 0.00 C ATOM 712 C LYS A 44 7.107 6.708 -5.676 1.00 0.00 C ATOM 713 O LYS A 44 7.046 5.973 -6.662 1.00 0.00 O ATOM 714 CB LYS A 44 5.484 8.634 -5.500 1.00 0.00 C ATOM 715 CG LYS A 44 4.010 9.028 -5.304 1.00 0.00 C ATOM 716 CD LYS A 44 3.716 10.310 -6.103 1.00 0.00 C ATOM 717 CE LYS A 44 2.279 10.818 -5.936 1.00 0.00 C ATOM 718 NZ LYS A 44 2.109 11.649 -4.727 1.00 0.00 N ATOM 0 H LYS A 44 5.792 8.025 -3.069 1.00 0.00 H new ATOM 0 HA LYS A 44 4.993 6.565 -5.317 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.115 9.347 -4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.734 8.714 -6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.358 8.220 -5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.802 9.189 -4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.408 11.091 -5.789 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.906 10.122 -7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.998 11.399 -6.814 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.600 9.967 -5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.174 12.104 -4.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.184 11.050 -3.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.849 12.379 -4.701 1.00 0.00 H new ATOM 732 N ASN A 45 8.275 7.060 -5.129 1.00 0.00 N ATOM 733 CA ASN A 45 9.575 6.560 -5.601 1.00 0.00 C ATOM 734 C ASN A 45 9.634 5.023 -5.467 1.00 0.00 C ATOM 735 O ASN A 45 10.002 4.325 -6.414 1.00 0.00 O ATOM 736 CB ASN A 45 10.727 7.264 -4.858 1.00 0.00 C ATOM 737 CG ASN A 45 11.028 8.642 -5.421 1.00 0.00 C ATOM 738 OD1 ASN A 45 11.943 8.825 -6.214 1.00 0.00 O ATOM 739 ND2 ASN A 45 10.283 9.658 -5.049 1.00 0.00 N ATOM 0 H ASN A 45 8.348 7.704 -4.341 1.00 0.00 H new ATOM 0 HA ASN A 45 9.692 6.796 -6.659 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.472 7.355 -3.802 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.624 6.647 -4.918 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.469 10.590 -5.420 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.519 9.515 -4.389 1.00 0.00 H new ATOM 746 N VAL A 46 9.226 4.491 -4.308 1.00 0.00 N ATOM 747 CA VAL A 46 9.111 3.045 -4.032 1.00 0.00 C ATOM 748 C VAL A 46 8.159 2.380 -5.050 1.00 0.00 C ATOM 749 O VAL A 46 8.529 1.381 -5.658 1.00 0.00 O ATOM 750 CB VAL A 46 8.705 2.806 -2.560 1.00 0.00 C ATOM 751 CG1 VAL A 46 8.396 1.347 -2.233 1.00 0.00 C ATOM 752 CG2 VAL A 46 9.824 3.249 -1.603 1.00 0.00 C ATOM 0 H VAL A 46 8.958 5.068 -3.510 1.00 0.00 H new ATOM 0 HA VAL A 46 10.082 2.567 -4.161 1.00 0.00 H new ATOM 0 HB VAL A 46 7.798 3.396 -2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.119 1.260 -1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.570 1.002 -2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.277 0.736 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.514 3.071 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.729 2.679 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.023 4.311 -1.743 1.00 0.00 H new ATOM 762 N LEU A 47 6.966 2.947 -5.281 1.00 0.00 N ATOM 763 CA LEU A 47 5.932 2.518 -6.242 1.00 0.00 C ATOM 764 C LEU A 47 6.485 2.356 -7.667 1.00 0.00 C ATOM 765 O LEU A 47 6.278 1.332 -8.323 1.00 0.00 O ATOM 766 CB LEU A 47 4.738 3.496 -6.140 1.00 0.00 C ATOM 767 CG LEU A 47 3.431 3.135 -6.867 1.00 0.00 C ATOM 768 CD1 LEU A 47 3.408 3.456 -8.358 1.00 0.00 C ATOM 769 CD2 LEU A 47 3.067 1.670 -6.691 1.00 0.00 C ATOM 0 H LEU A 47 6.675 3.777 -4.765 1.00 0.00 H new ATOM 0 HA LEU A 47 5.579 1.519 -5.986 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.505 3.626 -5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.069 4.464 -6.515 1.00 0.00 H new ATOM 0 HG LEU A 47 2.694 3.778 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.445 3.165 -8.778 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.558 4.526 -8.502 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.204 2.907 -8.861 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.138 1.460 -7.221 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.864 1.046 -7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.938 1.452 -5.631 1.00 0.00 H new ATOM 781 N ASN A 48 7.224 3.360 -8.136 1.00 0.00 N ATOM 782 CA ASN A 48 7.907 3.344 -9.431 1.00 0.00 C ATOM 783 C ASN A 48 8.905 2.176 -9.517 1.00 0.00 C ATOM 784 O ASN A 48 8.926 1.447 -10.507 1.00 0.00 O ATOM 785 CB ASN A 48 8.623 4.684 -9.643 1.00 0.00 C ATOM 786 CG ASN A 48 9.326 4.723 -10.992 1.00 0.00 C ATOM 787 OD1 ASN A 48 8.708 4.646 -12.045 1.00 0.00 O ATOM 788 ND2 ASN A 48 10.636 4.822 -11.011 1.00 0.00 N ATOM 0 H ASN A 48 7.368 4.226 -7.616 1.00 0.00 H new ATOM 0 HA ASN A 48 7.167 3.201 -10.218 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.902 5.499 -9.582 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.350 4.841 -8.846 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.134 4.834 -11.901 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.155 4.886 -10.135 1.00 0.00 H new ATOM 795 N HIS A 49 9.742 1.998 -8.495 1.00 0.00 N ATOM 796 CA HIS A 49 10.718 0.911 -8.438 1.00 0.00 C ATOM 797 C HIS A 49 10.029 -0.475 -8.419 1.00 0.00 C ATOM 798 O HIS A 49 10.341 -1.308 -9.270 1.00 0.00 O ATOM 799 CB HIS A 49 11.674 1.153 -7.263 1.00 0.00 C ATOM 800 CG HIS A 49 12.725 0.077 -7.148 1.00 0.00 C ATOM 801 ND1 HIS A 49 13.902 0.002 -7.866 1.00 0.00 N ATOM 802 CD2 HIS A 49 12.597 -1.090 -6.445 1.00 0.00 C ATOM 803 CE1 HIS A 49 14.454 -1.203 -7.621 1.00 0.00 C ATOM 804 NE2 HIS A 49 13.701 -1.897 -6.751 1.00 0.00 N ATOM 0 H HIS A 49 9.762 2.608 -7.678 1.00 0.00 H new ATOM 0 HA HIS A 49 11.320 0.904 -9.347 1.00 0.00 H new ATOM 0 HB2 HIS A 49 12.160 2.121 -7.387 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.102 1.200 -6.336 1.00 0.00 H new ATOM 0 HD1 HIS A 49 14.285 0.727 -8.472 1.00 0.00 H new ATOM 0 HD2 HIS A 49 11.789 -1.344 -5.774 1.00 0.00 H new ATOM 0 HE1 HIS A 49 15.373 -1.561 -8.062 1.00 0.00 H new ATOM 812 N MET A 50 9.074 -0.712 -7.505 1.00 0.00 N ATOM 813 CA MET A 50 8.276 -1.944 -7.331 1.00 0.00 C ATOM 814 C MET A 50 7.839 -2.614 -8.644 1.00 0.00 C ATOM 815 O MET A 50 8.053 -3.810 -8.838 1.00 0.00 O ATOM 816 CB MET A 50 6.987 -1.635 -6.550 1.00 0.00 C ATOM 817 CG MET A 50 7.083 -1.553 -5.032 1.00 0.00 C ATOM 818 SD MET A 50 5.854 -0.434 -4.301 1.00 0.00 S ATOM 819 CE MET A 50 4.319 -1.142 -4.921 1.00 0.00 C ATOM 0 H MET A 50 8.819 -0.001 -6.819 1.00 0.00 H new ATOM 0 HA MET A 50 8.940 -2.627 -6.801 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.594 -0.685 -6.913 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.252 -2.400 -6.799 1.00 0.00 H new ATOM 0 HG2 MET A 50 6.954 -2.550 -4.611 1.00 0.00 H new ATOM 0 HG3 MET A 50 8.082 -1.217 -4.755 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.478 -0.528 -4.598 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.347 -1.175 -6.010 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.201 -2.153 -4.531 1.00 0.00 H new ATOM 829 N THR A 51 7.171 -1.857 -9.523 1.00 0.00 N ATOM 830 CA THR A 51 6.641 -2.346 -10.811 1.00 0.00 C ATOM 831 C THR A 51 7.728 -2.887 -11.741 1.00 0.00 C ATOM 832 O THR A 51 7.564 -3.957 -12.332 1.00 0.00 O ATOM 833 CB THR A 51 5.835 -1.269 -11.555 1.00 0.00 C ATOM 834 OG1 THR A 51 6.507 -0.029 -11.585 1.00 0.00 O ATOM 835 CG2 THR A 51 4.470 -1.054 -10.907 1.00 0.00 C ATOM 0 H THR A 51 6.978 -0.869 -9.360 1.00 0.00 H new ATOM 0 HA THR A 51 5.979 -3.170 -10.544 1.00 0.00 H new ATOM 0 HB THR A 51 5.713 -1.636 -12.574 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.280 -0.090 -12.184 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.924 -0.287 -11.455 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.906 -1.987 -10.929 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.604 -0.735 -9.873 1.00 0.00 H new ATOM 843 N HIS A 52 8.833 -2.148 -11.882 1.00 0.00 N ATOM 844 CA HIS A 52 9.985 -2.495 -12.723 1.00 0.00 C ATOM 845 C HIS A 52 10.830 -3.638 -12.131 1.00 0.00 C ATOM 846 O HIS A 52 11.237 -4.541 -12.867 1.00 0.00 O ATOM 847 CB HIS A 52 10.816 -1.228 -12.979 1.00 0.00 C ATOM 848 CG HIS A 52 10.040 -0.179 -13.742 1.00 0.00 C ATOM 849 ND1 HIS A 52 9.381 0.906 -13.197 1.00 0.00 N ATOM 850 CD2 HIS A 52 9.812 -0.176 -15.089 1.00 0.00 C ATOM 851 CE1 HIS A 52 8.779 1.573 -14.200 1.00 0.00 C ATOM 852 NE2 HIS A 52 9.029 0.934 -15.364 1.00 0.00 N ATOM 0 H HIS A 52 8.955 -1.259 -11.396 1.00 0.00 H new ATOM 0 HA HIS A 52 9.618 -2.879 -13.675 1.00 0.00 H new ATOM 0 HB2 HIS A 52 11.144 -0.813 -12.026 1.00 0.00 H new ATOM 0 HB3 HIS A 52 11.714 -1.491 -13.538 1.00 0.00 H new ATOM 0 HD1 HIS A 52 9.355 1.158 -12.209 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.173 -0.901 -15.804 1.00 0.00 H new ATOM 0 HE1 HIS A 52 8.192 2.473 -14.092 1.00 0.00 H new ATOM 861 N CYS A 53 11.099 -3.600 -10.825 1.00 0.00 N ATOM 862 CA CYS A 53 11.860 -4.592 -10.067 1.00 0.00 C ATOM 863 C CYS A 53 11.190 -5.987 -10.098 1.00 0.00 C ATOM 864 O CYS A 53 9.972 -6.126 -9.925 1.00 0.00 O ATOM 865 CB CYS A 53 12.026 -4.043 -8.643 1.00 0.00 C ATOM 866 SG CYS A 53 12.882 -5.213 -7.534 1.00 0.00 S ATOM 0 H CYS A 53 10.773 -2.833 -10.236 1.00 0.00 H new ATOM 0 HA CYS A 53 12.840 -4.748 -10.518 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.586 -3.109 -8.681 1.00 0.00 H new ATOM 0 HB3 CYS A 53 11.044 -3.810 -8.231 1.00 0.00 H new ATOM 0 HG CYS A 53 12.630 -4.902 -6.297 1.00 0.00 H new ATOM 871 N GLN A 54 11.999 -7.028 -10.312 1.00 0.00 N ATOM 872 CA GLN A 54 11.588 -8.441 -10.370 1.00 0.00 C ATOM 873 C GLN A 54 12.253 -9.307 -9.281 1.00 0.00 C ATOM 874 O GLN A 54 11.907 -10.481 -9.125 1.00 0.00 O ATOM 875 CB GLN A 54 11.894 -9.012 -11.766 1.00 0.00 C ATOM 876 CG GLN A 54 11.154 -8.275 -12.895 1.00 0.00 C ATOM 877 CD GLN A 54 11.378 -8.945 -14.248 1.00 0.00 C ATOM 878 OE1 GLN A 54 12.306 -8.634 -14.985 1.00 0.00 O ATOM 879 NE2 GLN A 54 10.545 -9.891 -14.635 1.00 0.00 N ATOM 0 H GLN A 54 13.002 -6.908 -10.456 1.00 0.00 H new ATOM 0 HA GLN A 54 10.515 -8.473 -10.179 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.967 -8.957 -11.947 1.00 0.00 H new ATOM 0 HB3 GLN A 54 11.620 -10.067 -11.788 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.087 -8.249 -12.674 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.496 -7.241 -12.940 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.767 -10.163 -14.034 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.679 -10.351 -15.535 1.00 0.00 H new ATOM 888 N ALA A 55 13.200 -8.746 -8.522 1.00 0.00 N ATOM 889 CA ALA A 55 13.935 -9.423 -7.455 1.00 0.00 C ATOM 890 C ALA A 55 13.044 -9.758 -6.238 1.00 0.00 C ATOM 891 O ALA A 55 13.144 -10.861 -5.695 1.00 0.00 O ATOM 892 CB ALA A 55 15.145 -8.557 -7.093 1.00 0.00 C ATOM 0 H ALA A 55 13.484 -7.773 -8.640 1.00 0.00 H new ATOM 0 HA ALA A 55 14.281 -10.395 -7.807 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.713 -9.039 -6.297 1.00 0.00 H new ATOM 0 HB2 ALA A 55 15.781 -8.435 -7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.804 -7.579 -6.754 1.00 0.00 H new ATOM 898 N GLY A 56 12.179 -8.830 -5.805 1.00 0.00 N ATOM 899 CA GLY A 56 11.238 -8.995 -4.685 1.00 0.00 C ATOM 900 C GLY A 56 11.922 -9.374 -3.369 1.00 0.00 C ATOM 901 O GLY A 56 12.503 -8.525 -2.694 1.00 0.00 O ATOM 0 H GLY A 56 12.112 -7.910 -6.240 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.685 -8.066 -4.544 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.509 -9.764 -4.942 1.00 0.00 H new ATOM 905 N LYS A 57 11.884 -10.669 -3.025 1.00 0.00 N ATOM 906 CA LYS A 57 12.541 -11.265 -1.847 1.00 0.00 C ATOM 907 C LYS A 57 14.051 -10.977 -1.835 1.00 0.00 C ATOM 908 O LYS A 57 14.628 -10.719 -0.779 1.00 0.00 O ATOM 909 CB LYS A 57 12.296 -12.789 -1.825 1.00 0.00 C ATOM 910 CG LYS A 57 10.819 -13.219 -1.712 1.00 0.00 C ATOM 911 CD LYS A 57 10.159 -12.878 -0.367 1.00 0.00 C ATOM 912 CE LYS A 57 10.710 -13.744 0.772 1.00 0.00 C ATOM 913 NZ LYS A 57 10.114 -13.361 2.073 1.00 0.00 N ATOM 0 H LYS A 57 11.376 -11.359 -3.579 1.00 0.00 H new ATOM 0 HA LYS A 57 12.107 -10.811 -0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.714 -13.220 -2.735 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.847 -13.217 -0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.252 -12.742 -2.512 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.753 -14.295 -1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.325 -11.826 -0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.081 -13.021 -0.444 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.500 -14.794 0.568 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.794 -13.639 0.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.480 -13.986 2.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.364 -12.376 2.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.079 -13.452 2.021 1.00 0.00 H new ATOM 927 N ALA A 58 14.681 -11.040 -3.010 1.00 0.00 N ATOM 928 CA ALA A 58 16.111 -10.819 -3.224 1.00 0.00 C ATOM 929 C ALA A 58 16.547 -9.335 -3.247 1.00 0.00 C ATOM 930 O ALA A 58 17.740 -9.062 -3.080 1.00 0.00 O ATOM 931 CB ALA A 58 16.508 -11.538 -4.520 1.00 0.00 C ATOM 0 H ALA A 58 14.186 -11.256 -3.875 1.00 0.00 H new ATOM 0 HA ALA A 58 16.639 -11.229 -2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.572 -11.391 -4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.301 -12.604 -4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.934 -11.131 -5.352 1.00 0.00 H new ATOM 937 N CYS A 59 15.629 -8.376 -3.446 1.00 0.00 N ATOM 938 CA CYS A 59 15.951 -6.946 -3.482 1.00 0.00 C ATOM 939 C CYS A 59 16.379 -6.453 -2.082 1.00 0.00 C ATOM 940 O CYS A 59 15.697 -6.684 -1.076 1.00 0.00 O ATOM 941 CB CYS A 59 14.758 -6.159 -4.055 1.00 0.00 C ATOM 942 SG CYS A 59 15.297 -4.570 -4.789 1.00 0.00 S ATOM 0 H CYS A 59 14.639 -8.575 -3.587 1.00 0.00 H new ATOM 0 HA CYS A 59 16.800 -6.774 -4.143 1.00 0.00 H new ATOM 0 HB2 CYS A 59 14.254 -6.759 -4.813 1.00 0.00 H new ATOM 0 HB3 CYS A 59 14.032 -5.969 -3.264 1.00 0.00 H new ATOM 0 HG CYS A 59 14.660 -4.369 -5.904 1.00 0.00 H new ATOM 947 N GLN A 60 17.544 -5.805 -2.013 1.00 0.00 N ATOM 948 CA GLN A 60 18.155 -5.299 -0.776 1.00 0.00 C ATOM 949 C GLN A 60 17.356 -4.158 -0.113 1.00 0.00 C ATOM 950 O GLN A 60 17.417 -3.990 1.107 1.00 0.00 O ATOM 951 CB GLN A 60 19.598 -4.842 -1.054 1.00 0.00 C ATOM 952 CG GLN A 60 20.506 -5.999 -1.505 1.00 0.00 C ATOM 953 CD GLN A 60 21.956 -5.548 -1.675 1.00 0.00 C ATOM 954 OE1 GLN A 60 22.808 -5.749 -0.817 1.00 0.00 O ATOM 955 NE2 GLN A 60 22.300 -4.917 -2.781 1.00 0.00 N ATOM 0 H GLN A 60 18.108 -5.611 -2.841 1.00 0.00 H new ATOM 0 HA GLN A 60 18.150 -6.127 -0.067 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.589 -4.070 -1.824 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.012 -4.389 -0.153 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.459 -6.805 -0.772 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.138 -6.404 -2.448 1.00 0.00 H new ATOM 0 HE21 GLN A 60 21.604 -4.741 -3.505 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.262 -4.605 -2.912 1.00 0.00 H new ATOM 964 N VAL A 61 16.625 -3.364 -0.901 1.00 0.00 N ATOM 965 CA VAL A 61 15.817 -2.222 -0.439 1.00 0.00 C ATOM 966 C VAL A 61 14.671 -2.686 0.475 1.00 0.00 C ATOM 967 O VAL A 61 13.821 -3.488 0.082 1.00 0.00 O ATOM 968 CB VAL A 61 15.278 -1.409 -1.637 1.00 0.00 C ATOM 969 CG1 VAL A 61 14.483 -0.177 -1.177 1.00 0.00 C ATOM 970 CG2 VAL A 61 16.415 -0.904 -2.538 1.00 0.00 C ATOM 0 H VAL A 61 16.575 -3.499 -1.911 1.00 0.00 H new ATOM 0 HA VAL A 61 16.464 -1.569 0.147 1.00 0.00 H new ATOM 0 HB VAL A 61 14.632 -2.092 -2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.121 0.368 -2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.635 -0.496 -0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.128 0.472 -0.585 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.996 -0.337 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 61 17.080 -0.263 -1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.977 -1.754 -2.925 1.00 0.00 H new ATOM 980 N ALA A 62 14.640 -2.159 1.704 1.00 0.00 N ATOM 981 CA ALA A 62 13.649 -2.442 2.748 1.00 0.00 C ATOM 982 C ALA A 62 12.196 -2.325 2.247 1.00 0.00 C ATOM 983 O ALA A 62 11.418 -3.285 2.271 1.00 0.00 O ATOM 984 CB ALA A 62 13.931 -1.487 3.920 1.00 0.00 C ATOM 0 H ALA A 62 15.343 -1.488 2.013 1.00 0.00 H new ATOM 0 HA ALA A 62 13.747 -3.479 3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.211 -1.668 4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.940 -1.659 4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.842 -0.456 3.579 1.00 0.00 H new ATOM 990 N HIS A 63 11.835 -1.124 1.782 1.00 0.00 N ATOM 991 CA HIS A 63 10.506 -0.789 1.263 1.00 0.00 C ATOM 992 C HIS A 63 10.084 -1.663 0.074 1.00 0.00 C ATOM 993 O HIS A 63 8.933 -2.080 0.037 1.00 0.00 O ATOM 994 CB HIS A 63 10.423 0.706 0.925 1.00 0.00 C ATOM 995 CG HIS A 63 10.739 1.607 2.093 1.00 0.00 C ATOM 996 ND1 HIS A 63 9.968 1.764 3.233 1.00 0.00 N ATOM 997 CD2 HIS A 63 11.852 2.391 2.218 1.00 0.00 C ATOM 998 CE1 HIS A 63 10.614 2.626 4.041 1.00 0.00 C ATOM 999 NE2 HIS A 63 11.761 3.021 3.448 1.00 0.00 N ATOM 0 H HIS A 63 12.480 -0.334 1.756 1.00 0.00 H new ATOM 0 HA HIS A 63 9.791 -1.007 2.056 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.114 0.925 0.111 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.420 0.933 0.562 1.00 0.00 H new ATOM 0 HD1 HIS A 63 9.075 1.310 3.425 1.00 0.00 H new ATOM 0 HD2 HIS A 63 12.649 2.498 1.497 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.269 2.951 5.011 1.00 0.00 H new ATOM 1008 N CYS A 64 10.974 -1.959 -0.874 1.00 0.00 N ATOM 1009 CA CYS A 64 10.710 -2.796 -2.054 1.00 0.00 C ATOM 1010 C CYS A 64 10.175 -4.200 -1.673 1.00 0.00 C ATOM 1011 O CYS A 64 9.113 -4.638 -2.135 1.00 0.00 O ATOM 1012 CB CYS A 64 12.012 -2.852 -2.866 1.00 0.00 C ATOM 1013 SG CYS A 64 11.757 -3.676 -4.459 1.00 0.00 S ATOM 0 H CYS A 64 11.933 -1.613 -0.844 1.00 0.00 H new ATOM 0 HA CYS A 64 9.915 -2.361 -2.659 1.00 0.00 H new ATOM 0 HB2 CYS A 64 12.384 -1.841 -3.032 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.776 -3.383 -2.297 1.00 0.00 H new ATOM 0 HG CYS A 64 12.268 -4.871 -4.416 1.00 0.00 H new ATOM 1018 N ALA A 65 10.886 -4.898 -0.783 1.00 0.00 N ATOM 1019 CA ALA A 65 10.488 -6.205 -0.260 1.00 0.00 C ATOM 1020 C ALA A 65 9.134 -6.133 0.487 1.00 0.00 C ATOM 1021 O ALA A 65 8.242 -6.957 0.271 1.00 0.00 O ATOM 1022 CB ALA A 65 11.619 -6.723 0.637 1.00 0.00 C ATOM 0 H ALA A 65 11.770 -4.563 -0.400 1.00 0.00 H new ATOM 0 HA ALA A 65 10.332 -6.903 -1.083 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.346 -7.698 1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.534 -6.815 0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.782 -6.024 1.457 1.00 0.00 H new ATOM 1028 N SER A 66 8.991 -5.145 1.376 1.00 0.00 N ATOM 1029 CA SER A 66 7.807 -4.896 2.217 1.00 0.00 C ATOM 1030 C SER A 66 6.542 -4.530 1.426 1.00 0.00 C ATOM 1031 O SER A 66 5.490 -5.135 1.624 1.00 0.00 O ATOM 1032 CB SER A 66 8.106 -3.781 3.225 1.00 0.00 C ATOM 1033 OG SER A 66 9.262 -4.094 3.976 1.00 0.00 O ATOM 0 H SER A 66 9.731 -4.462 1.540 1.00 0.00 H new ATOM 0 HA SER A 66 7.600 -5.839 2.723 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.250 -2.836 2.700 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.255 -3.648 3.893 1.00 0.00 H new ATOM 0 HG SER A 66 10.061 -3.850 3.464 1.00 0.00 H new ATOM 1039 N SER A 67 6.624 -3.532 0.542 1.00 0.00 N ATOM 1040 CA SER A 67 5.541 -2.986 -0.298 1.00 0.00 C ATOM 1041 C SER A 67 4.796 -4.031 -1.125 1.00 0.00 C ATOM 1042 O SER A 67 3.572 -3.962 -1.245 1.00 0.00 O ATOM 1043 CB SER A 67 6.047 -1.861 -1.195 1.00 0.00 C ATOM 1044 OG SER A 67 7.130 -2.312 -1.974 1.00 0.00 O ATOM 0 H SER A 67 7.507 -3.047 0.379 1.00 0.00 H new ATOM 0 HA SER A 67 4.813 -2.587 0.408 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.243 -1.513 -1.843 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.356 -1.011 -0.586 1.00 0.00 H new ATOM 0 HG SER A 67 7.948 -2.299 -1.435 1.00 0.00 H new ATOM 1050 N ARG A 68 5.492 -5.035 -1.669 1.00 0.00 N ATOM 1051 CA ARG A 68 4.822 -6.154 -2.348 1.00 0.00 C ATOM 1052 C ARG A 68 3.962 -6.918 -1.338 1.00 0.00 C ATOM 1053 O ARG A 68 2.778 -7.138 -1.583 1.00 0.00 O ATOM 1054 CB ARG A 68 5.837 -7.059 -3.055 1.00 0.00 C ATOM 1055 CG ARG A 68 6.463 -6.365 -4.273 1.00 0.00 C ATOM 1056 CD ARG A 68 7.312 -7.365 -5.065 1.00 0.00 C ATOM 1057 NE ARG A 68 8.069 -6.724 -6.156 1.00 0.00 N ATOM 1058 CZ ARG A 68 9.203 -6.057 -6.026 1.00 0.00 C ATOM 1059 NH1 ARG A 68 9.683 -5.725 -4.872 1.00 0.00 N ATOM 1060 NH2 ARG A 68 9.899 -5.719 -7.059 1.00 0.00 N ATOM 0 H ARG A 68 6.510 -5.098 -1.654 1.00 0.00 H new ATOM 0 HA ARG A 68 4.166 -5.766 -3.127 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.622 -7.343 -2.354 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.346 -7.979 -3.373 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.680 -5.955 -4.911 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.081 -5.528 -3.948 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.007 -7.862 -4.388 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.665 -8.137 -5.481 1.00 0.00 H new ATOM 0 HE ARG A 68 7.683 -6.802 -7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.183 -5.978 -4.020 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.562 -5.210 -4.814 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.576 -5.966 -7.994 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.772 -5.204 -6.940 1.00 0.00 H new ATOM 1074 N GLN A 69 4.534 -7.290 -0.190 1.00 0.00 N ATOM 1075 CA GLN A 69 3.891 -8.016 0.915 1.00 0.00 C ATOM 1076 C GLN A 69 2.593 -7.347 1.403 1.00 0.00 C ATOM 1077 O GLN A 69 1.547 -7.995 1.409 1.00 0.00 O ATOM 1078 CB GLN A 69 4.902 -8.201 2.065 1.00 0.00 C ATOM 1079 CG GLN A 69 4.756 -9.525 2.829 1.00 0.00 C ATOM 1080 CD GLN A 69 3.450 -9.758 3.595 1.00 0.00 C ATOM 1081 OE1 GLN A 69 2.973 -10.877 3.693 1.00 0.00 O ATOM 1082 NE2 GLN A 69 2.828 -8.763 4.193 1.00 0.00 N ATOM 0 H GLN A 69 5.513 -7.082 0.007 1.00 0.00 H new ATOM 0 HA GLN A 69 3.589 -8.993 0.539 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.912 -8.139 1.659 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.790 -7.375 2.768 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.878 -10.340 2.116 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.580 -9.597 3.539 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.202 -7.816 4.130 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.972 -8.939 4.720 1.00 0.00 H new ATOM 1091 N ILE A 70 2.637 -6.070 1.812 1.00 0.00 N ATOM 1092 CA ILE A 70 1.445 -5.337 2.292 1.00 0.00 C ATOM 1093 C ILE A 70 0.268 -5.414 1.305 1.00 0.00 C ATOM 1094 O ILE A 70 -0.866 -5.690 1.704 1.00 0.00 O ATOM 1095 CB ILE A 70 1.723 -3.866 2.700 1.00 0.00 C ATOM 1096 CG1 ILE A 70 2.853 -3.138 1.960 1.00 0.00 C ATOM 1097 CG2 ILE A 70 1.920 -3.774 4.217 1.00 0.00 C ATOM 1098 CD1 ILE A 70 2.792 -1.604 2.048 1.00 0.00 C ATOM 0 H ILE A 70 3.493 -5.515 1.821 1.00 0.00 H new ATOM 0 HA ILE A 70 1.160 -5.860 3.205 1.00 0.00 H new ATOM 0 HB ILE A 70 0.830 -3.328 2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.809 -3.474 2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.829 -3.430 0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.115 -2.739 4.496 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.020 -4.123 4.723 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.766 -4.395 4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.629 -1.174 1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.855 -1.252 1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.850 -1.297 3.092 1.00 0.00 H new ATOM 1110 N ILE A 71 0.529 -5.192 0.015 1.00 0.00 N ATOM 1111 CA ILE A 71 -0.486 -5.272 -1.047 1.00 0.00 C ATOM 1112 C ILE A 71 -0.937 -6.717 -1.290 1.00 0.00 C ATOM 1113 O ILE A 71 -2.131 -6.953 -1.476 1.00 0.00 O ATOM 1114 CB ILE A 71 0.013 -4.540 -2.307 1.00 0.00 C ATOM 1115 CG1 ILE A 71 0.317 -3.057 -1.987 1.00 0.00 C ATOM 1116 CG2 ILE A 71 -0.995 -4.621 -3.462 1.00 0.00 C ATOM 1117 CD1 ILE A 71 -0.765 -2.299 -1.191 1.00 0.00 C ATOM 0 H ILE A 71 1.458 -4.949 -0.329 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.390 -4.753 -0.727 1.00 0.00 H new ATOM 0 HB ILE A 71 0.927 -5.042 -2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.251 -3.011 -1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.484 -2.530 -2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.599 -4.091 -4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.166 -5.665 -3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.936 -4.164 -3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.442 -1.271 -1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.699 -2.301 -1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.920 -2.789 -0.230 1.00 0.00 H new ATOM 1129 N SER A 72 -0.020 -7.689 -1.221 1.00 0.00 N ATOM 1130 CA SER A 72 -0.323 -9.128 -1.305 1.00 0.00 C ATOM 1131 C SER A 72 -1.395 -9.499 -0.278 1.00 0.00 C ATOM 1132 O SER A 72 -2.388 -10.142 -0.623 1.00 0.00 O ATOM 1133 CB SER A 72 0.910 -10.010 -1.066 1.00 0.00 C ATOM 1134 OG SER A 72 1.995 -9.645 -1.891 1.00 0.00 O ATOM 0 H SER A 72 0.975 -7.496 -1.103 1.00 0.00 H new ATOM 0 HA SER A 72 -0.677 -9.311 -2.319 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.210 -9.936 -0.021 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.650 -11.052 -1.251 1.00 0.00 H new ATOM 0 HG SER A 72 2.363 -8.789 -1.587 1.00 0.00 H new ATOM 1140 N HIS A 73 -1.209 -9.063 0.976 1.00 0.00 N ATOM 1141 CA HIS A 73 -2.164 -9.260 2.063 1.00 0.00 C ATOM 1142 C HIS A 73 -3.517 -8.627 1.710 1.00 0.00 C ATOM 1143 O HIS A 73 -4.497 -9.361 1.604 1.00 0.00 O ATOM 1144 CB HIS A 73 -1.607 -8.738 3.398 1.00 0.00 C ATOM 1145 CG HIS A 73 -2.502 -9.031 4.589 1.00 0.00 C ATOM 1146 ND1 HIS A 73 -2.173 -9.838 5.653 1.00 0.00 N ATOM 1147 CD2 HIS A 73 -3.787 -8.588 4.805 1.00 0.00 C ATOM 1148 CE1 HIS A 73 -3.241 -9.904 6.472 1.00 0.00 C ATOM 1149 NE2 HIS A 73 -4.255 -9.159 5.997 1.00 0.00 N ATOM 0 H HIS A 73 -0.373 -8.554 1.263 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.327 -10.330 2.191 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.628 -9.184 3.572 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.458 -7.661 3.323 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -1.278 -10.305 5.797 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.340 -7.916 4.166 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.278 -10.478 7.386 1.00 0.00 H new ATOM 1157 N TRP A 74 -3.594 -7.299 1.530 1.00 0.00 N ATOM 1158 CA TRP A 74 -4.865 -6.607 1.256 1.00 0.00 C ATOM 1159 C TRP A 74 -5.649 -7.165 0.055 1.00 0.00 C ATOM 1160 O TRP A 74 -6.872 -7.312 0.131 1.00 0.00 O ATOM 1161 CB TRP A 74 -4.686 -5.084 1.150 1.00 0.00 C ATOM 1162 CG TRP A 74 -5.988 -4.326 1.182 1.00 0.00 C ATOM 1163 CD1 TRP A 74 -6.982 -4.550 2.072 1.00 0.00 C ATOM 1164 CD2 TRP A 74 -6.485 -3.263 0.308 1.00 0.00 C ATOM 1165 NE1 TRP A 74 -8.064 -3.739 1.794 1.00 0.00 N ATOM 1166 CE2 TRP A 74 -7.812 -2.923 0.719 1.00 0.00 C ATOM 1167 CE3 TRP A 74 -5.964 -2.552 -0.796 1.00 0.00 C ATOM 1168 CZ2 TRP A 74 -8.580 -1.942 0.076 1.00 0.00 C ATOM 1169 CZ3 TRP A 74 -6.720 -1.550 -1.436 1.00 0.00 C ATOM 1170 CH2 TRP A 74 -8.022 -1.243 -0.999 1.00 0.00 C ATOM 0 H TRP A 74 -2.785 -6.679 1.570 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.483 -6.815 2.129 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -4.054 -4.742 1.970 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.161 -4.851 0.224 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -6.936 -5.261 2.883 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.938 -3.745 2.320 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.971 -2.780 -1.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -9.586 -1.730 0.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.296 -1.012 -2.271 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.590 -0.468 -1.493 1.00 0.00 H new ATOM 1181 N LYS A 75 -4.972 -7.499 -1.056 1.00 0.00 N ATOM 1182 CA LYS A 75 -5.600 -8.094 -2.250 1.00 0.00 C ATOM 1183 C LYS A 75 -6.303 -9.421 -1.924 1.00 0.00 C ATOM 1184 O LYS A 75 -7.409 -9.657 -2.411 1.00 0.00 O ATOM 1185 CB LYS A 75 -4.551 -8.252 -3.369 1.00 0.00 C ATOM 1186 CG LYS A 75 -5.066 -8.876 -4.684 1.00 0.00 C ATOM 1187 CD LYS A 75 -5.837 -7.942 -5.638 1.00 0.00 C ATOM 1188 CE LYS A 75 -7.186 -7.380 -5.162 1.00 0.00 C ATOM 1189 NZ LYS A 75 -8.198 -8.438 -4.894 1.00 0.00 N ATOM 0 H LYS A 75 -3.966 -7.363 -1.153 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.379 -7.419 -2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.134 -7.270 -3.593 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.734 -8.867 -2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.212 -9.284 -5.224 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.714 -9.715 -4.432 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.189 -7.099 -5.876 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.010 -8.483 -6.568 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.030 -6.797 -4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.575 -6.697 -5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.142 -8.006 -4.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.189 -9.131 -5.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.971 -8.917 -3.999 1.00 0.00 H new ATOM 1203 N ASN A 76 -5.666 -10.283 -1.132 1.00 0.00 N ATOM 1204 CA ASN A 76 -6.186 -11.587 -0.712 1.00 0.00 C ATOM 1205 C ASN A 76 -7.250 -11.499 0.397 1.00 0.00 C ATOM 1206 O ASN A 76 -8.297 -12.147 0.303 1.00 0.00 O ATOM 1207 CB ASN A 76 -5.015 -12.466 -0.245 1.00 0.00 C ATOM 1208 CG ASN A 76 -4.311 -13.126 -1.410 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -4.706 -14.194 -1.856 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -3.267 -12.532 -1.934 1.00 0.00 N ATOM 0 H ASN A 76 -4.740 -10.087 -0.751 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.685 -12.026 -1.576 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.303 -11.858 0.313 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.384 -13.231 0.438 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.778 -12.960 -2.720 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.944 -11.641 -1.556 1.00 0.00 H new ATOM 1217 N CYS A 77 -6.954 -10.766 1.470 1.00 0.00 N ATOM 1218 CA CYS A 77 -7.771 -10.650 2.672 1.00 0.00 C ATOM 1219 C CYS A 77 -9.199 -10.131 2.417 1.00 0.00 C ATOM 1220 O CYS A 77 -9.438 -9.131 1.731 1.00 0.00 O ATOM 1221 CB CYS A 77 -7.003 -9.821 3.708 1.00 0.00 C ATOM 1222 SG CYS A 77 -7.630 -10.124 5.391 1.00 0.00 S ATOM 0 H CYS A 77 -6.099 -10.213 1.525 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.940 -11.652 3.066 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.943 -10.069 3.662 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.093 -8.761 3.469 1.00 0.00 H new ATOM 0 HG CYS A 77 -7.071 -9.292 6.219 1.00 0.00 H new ATOM 1227 N THR A 78 -10.157 -10.866 2.983 1.00 0.00 N ATOM 1228 CA THR A 78 -11.608 -10.628 2.936 1.00 0.00 C ATOM 1229 C THR A 78 -12.249 -10.810 4.330 1.00 0.00 C ATOM 1230 O THR A 78 -13.470 -10.918 4.476 1.00 0.00 O ATOM 1231 CB THR A 78 -12.218 -11.511 1.825 1.00 0.00 C ATOM 1232 OG1 THR A 78 -13.548 -11.146 1.511 1.00 0.00 O ATOM 1233 CG2 THR A 78 -12.192 -13.011 2.138 1.00 0.00 C ATOM 0 H THR A 78 -9.929 -11.700 3.524 1.00 0.00 H new ATOM 0 HA THR A 78 -11.823 -9.592 2.674 1.00 0.00 H new ATOM 0 HB THR A 78 -11.571 -11.329 0.967 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.046 -10.981 2.339 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.638 -13.563 1.311 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.161 -13.336 2.277 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.759 -13.202 3.049 1.00 0.00 H new ATOM 1241 N ARG A 79 -11.422 -10.813 5.389 1.00 0.00 N ATOM 1242 CA ARG A 79 -11.817 -10.943 6.801 1.00 0.00 C ATOM 1243 C ARG A 79 -12.710 -9.771 7.233 1.00 0.00 C ATOM 1244 O ARG A 79 -12.394 -8.602 7.000 1.00 0.00 O ATOM 1245 CB ARG A 79 -10.538 -11.045 7.656 1.00 0.00 C ATOM 1246 CG ARG A 79 -10.792 -11.105 9.170 1.00 0.00 C ATOM 1247 CD ARG A 79 -9.485 -11.017 9.963 1.00 0.00 C ATOM 1248 NE ARG A 79 -9.740 -10.664 11.372 1.00 0.00 N ATOM 1249 CZ ARG A 79 -8.845 -10.288 12.267 1.00 0.00 C ATOM 1250 NH1 ARG A 79 -7.574 -10.220 11.989 1.00 0.00 N ATOM 1251 NH2 ARG A 79 -9.211 -9.968 13.473 1.00 0.00 N ATOM 0 H ARG A 79 -10.412 -10.720 5.278 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.411 -11.846 6.943 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.985 -11.935 7.357 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.901 -10.187 7.440 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.451 -10.288 9.462 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.307 -12.034 9.417 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.961 -11.972 9.913 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.831 -10.271 9.511 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.708 -10.716 11.688 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.243 -10.461 11.055 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.910 -9.925 12.705 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.196 -10.006 13.734 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.513 -9.679 14.158 1.00 0.00 H new ATOM 1265 N HIS A 80 -13.818 -10.099 7.899 1.00 0.00 N ATOM 1266 CA HIS A 80 -14.842 -9.180 8.427 1.00 0.00 C ATOM 1267 C HIS A 80 -14.375 -8.133 9.458 1.00 0.00 C ATOM 1268 O HIS A 80 -15.141 -7.225 9.776 1.00 0.00 O ATOM 1269 CB HIS A 80 -16.015 -10.020 8.979 1.00 0.00 C ATOM 1270 CG HIS A 80 -15.654 -11.235 9.814 1.00 0.00 C ATOM 1271 ND1 HIS A 80 -14.669 -11.343 10.787 1.00 0.00 N ATOM 1272 CD2 HIS A 80 -16.273 -12.451 9.713 1.00 0.00 C ATOM 1273 CE1 HIS A 80 -14.698 -12.605 11.261 1.00 0.00 C ATOM 1274 NE2 HIS A 80 -15.665 -13.297 10.624 1.00 0.00 N ATOM 0 H HIS A 80 -14.044 -11.073 8.100 1.00 0.00 H new ATOM 0 HA HIS A 80 -15.144 -8.562 7.582 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -16.645 -9.367 9.584 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.619 -10.355 8.136 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -14.037 -10.601 11.089 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -17.085 -12.704 9.047 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -14.049 -12.999 12.029 1.00 0.00 H new ATOM 1283 N ASP A 81 -13.168 -8.259 10.014 1.00 0.00 N ATOM 1284 CA ASP A 81 -12.637 -7.382 11.071 1.00 0.00 C ATOM 1285 C ASP A 81 -11.095 -7.210 11.089 1.00 0.00 C ATOM 1286 O ASP A 81 -10.536 -6.872 12.137 1.00 0.00 O ATOM 1287 CB ASP A 81 -13.141 -7.914 12.432 1.00 0.00 C ATOM 1288 CG ASP A 81 -12.466 -9.234 12.843 1.00 0.00 C ATOM 1289 OD1 ASP A 81 -12.484 -10.196 12.038 1.00 0.00 O ATOM 1290 OD2 ASP A 81 -11.903 -9.331 13.958 1.00 0.00 O ATOM 0 H ASP A 81 -12.513 -8.991 9.738 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.009 -6.379 10.860 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.958 -7.163 13.201 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.220 -8.063 12.382 1.00 0.00 H new ATOM 1295 N CYS A 82 -10.390 -7.397 9.961 1.00 0.00 N ATOM 1296 CA CYS A 82 -8.931 -7.193 9.904 1.00 0.00 C ATOM 1297 C CYS A 82 -8.629 -5.697 10.208 1.00 0.00 C ATOM 1298 O CYS A 82 -9.363 -4.827 9.716 1.00 0.00 O ATOM 1299 CB CYS A 82 -8.401 -7.603 8.516 1.00 0.00 C ATOM 1300 SG CYS A 82 -6.725 -8.339 8.523 1.00 0.00 S ATOM 0 H CYS A 82 -10.805 -7.689 9.076 1.00 0.00 H new ATOM 0 HA CYS A 82 -8.428 -7.813 10.646 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -9.095 -8.318 8.074 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.394 -6.725 7.871 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.799 -9.591 8.182 1.00 0.00 H new ATOM 1305 N PRO A 83 -7.600 -5.351 11.006 1.00 0.00 N ATOM 1306 CA PRO A 83 -7.302 -3.971 11.422 1.00 0.00 C ATOM 1307 C PRO A 83 -6.984 -2.957 10.306 1.00 0.00 C ATOM 1308 O PRO A 83 -6.871 -1.765 10.607 1.00 0.00 O ATOM 1309 CB PRO A 83 -6.151 -4.088 12.431 1.00 0.00 C ATOM 1310 CG PRO A 83 -5.478 -5.402 12.043 1.00 0.00 C ATOM 1311 CD PRO A 83 -6.666 -6.266 11.642 1.00 0.00 C ATOM 0 HA PRO A 83 -8.211 -3.542 11.844 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.463 -3.246 12.356 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.516 -4.111 13.458 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.774 -5.272 11.221 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.922 -5.835 12.874 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.364 -7.060 10.959 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -7.115 -6.747 12.511 1.00 0.00 H new ATOM 1319 N VAL A 84 -6.853 -3.377 9.041 1.00 0.00 N ATOM 1320 CA VAL A 84 -6.575 -2.490 7.891 1.00 0.00 C ATOM 1321 C VAL A 84 -7.557 -2.757 6.751 1.00 0.00 C ATOM 1322 O VAL A 84 -8.189 -1.830 6.242 1.00 0.00 O ATOM 1323 CB VAL A 84 -5.124 -2.581 7.370 1.00 0.00 C ATOM 1324 CG1 VAL A 84 -4.732 -1.216 6.786 1.00 0.00 C ATOM 1325 CG2 VAL A 84 -4.119 -2.963 8.457 1.00 0.00 C ATOM 0 H VAL A 84 -6.938 -4.359 8.778 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.708 -1.474 8.263 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.094 -3.368 6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.709 -1.260 6.412 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.406 -0.963 5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.802 -0.454 7.563 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.118 -3.010 8.027 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.138 -2.215 9.250 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.383 -3.937 8.870 1.00 0.00 H new ATOM 1335 N CYS A 85 -7.695 -4.018 6.347 1.00 0.00 N ATOM 1336 CA CYS A 85 -8.556 -4.493 5.278 1.00 0.00 C ATOM 1337 C CYS A 85 -10.022 -4.038 5.449 1.00 0.00 C ATOM 1338 O CYS A 85 -10.602 -3.482 4.512 1.00 0.00 O ATOM 1339 CB CYS A 85 -8.396 -6.023 5.181 1.00 0.00 C ATOM 1340 SG CYS A 85 -6.652 -6.556 5.382 1.00 0.00 S ATOM 0 H CYS A 85 -7.175 -4.777 6.787 1.00 0.00 H new ATOM 0 HA CYS A 85 -8.251 -4.045 4.332 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -9.009 -6.499 5.946 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.769 -6.364 4.215 1.00 0.00 H new ATOM 0 HG CYS A 85 -6.526 -7.220 6.492 1.00 0.00 H new ATOM 1345 N LEU A 86 -10.607 -4.242 6.639 1.00 0.00 N ATOM 1346 CA LEU A 86 -11.973 -3.821 6.973 1.00 0.00 C ATOM 1347 C LEU A 86 -12.170 -2.300 6.795 1.00 0.00 C ATOM 1348 O LEU A 86 -13.009 -1.934 5.968 1.00 0.00 O ATOM 1349 CB LEU A 86 -12.394 -4.368 8.357 1.00 0.00 C ATOM 1350 CG LEU A 86 -13.861 -4.151 8.786 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -14.210 -2.715 9.186 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -14.855 -4.631 7.730 1.00 0.00 C ATOM 0 H LEU A 86 -10.133 -4.713 7.410 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.662 -4.268 6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.193 -5.439 8.372 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.751 -3.912 9.110 1.00 0.00 H new ATOM 0 HG LEU A 86 -13.952 -4.763 9.683 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -15.261 -2.662 9.471 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.589 -2.411 10.029 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -14.029 -2.048 8.343 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -15.872 -4.456 8.081 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.692 -4.084 6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.711 -5.697 7.553 1.00 0.00 H new ATOM 1364 N PRO A 87 -11.458 -1.397 7.510 1.00 0.00 N ATOM 1365 CA PRO A 87 -11.642 0.046 7.340 1.00 0.00 C ATOM 1366 C PRO A 87 -11.402 0.515 5.894 1.00 0.00 C ATOM 1367 O PRO A 87 -12.187 1.323 5.404 1.00 0.00 O ATOM 1368 CB PRO A 87 -10.750 0.736 8.375 1.00 0.00 C ATOM 1369 CG PRO A 87 -9.714 -0.320 8.744 1.00 0.00 C ATOM 1370 CD PRO A 87 -10.460 -1.641 8.544 1.00 0.00 C ATOM 0 HA PRO A 87 -12.681 0.322 7.517 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.279 1.628 7.962 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.323 1.052 9.246 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -8.832 -0.257 8.106 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.372 -0.204 9.773 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -9.774 -2.433 8.243 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -10.933 -1.965 9.471 1.00 0.00 H new ATOM 1378 N LEU A 88 -10.386 0.010 5.181 1.00 0.00 N ATOM 1379 CA LEU A 88 -10.157 0.337 3.760 1.00 0.00 C ATOM 1380 C LEU A 88 -11.378 0.000 2.882 1.00 0.00 C ATOM 1381 O LEU A 88 -11.779 0.812 2.045 1.00 0.00 O ATOM 1382 CB LEU A 88 -8.900 -0.375 3.245 1.00 0.00 C ATOM 1383 CG LEU A 88 -7.574 0.208 3.760 1.00 0.00 C ATOM 1384 CD1 LEU A 88 -6.437 -0.691 3.287 1.00 0.00 C ATOM 1385 CD2 LEU A 88 -7.312 1.618 3.224 1.00 0.00 C ATOM 0 H LEU A 88 -9.699 -0.636 5.569 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.005 1.414 3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.953 -1.426 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.899 -0.338 2.156 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.633 0.260 4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.487 -0.293 3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.580 -1.697 3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.430 -0.726 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.364 1.986 3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.268 1.591 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.117 2.282 3.538 1.00 0.00 H new ATOM 1397 N LYS A 89 -11.971 -1.187 3.067 1.00 0.00 N ATOM 1398 CA LYS A 89 -13.167 -1.657 2.349 1.00 0.00 C ATOM 1399 C LYS A 89 -14.412 -0.832 2.706 1.00 0.00 C ATOM 1400 O LYS A 89 -15.084 -0.302 1.819 1.00 0.00 O ATOM 1401 CB LYS A 89 -13.344 -3.166 2.624 1.00 0.00 C ATOM 1402 CG LYS A 89 -14.416 -3.875 1.773 1.00 0.00 C ATOM 1403 CD LYS A 89 -15.845 -3.796 2.342 1.00 0.00 C ATOM 1404 CE LYS A 89 -16.871 -4.513 1.452 1.00 0.00 C ATOM 1405 NZ LYS A 89 -16.703 -5.991 1.454 1.00 0.00 N ATOM 0 H LYS A 89 -11.622 -1.869 3.741 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.032 -1.513 1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.388 -3.662 2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.594 -3.299 3.677 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.413 -3.440 0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.140 -4.924 1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -15.861 -4.238 3.338 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -16.132 -2.750 2.452 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.876 -4.266 1.793 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -16.781 -4.143 0.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.431 -6.424 0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.761 -6.234 1.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.799 -6.350 2.425 1.00 0.00 H new ATOM 1731 N GLY B 114 8.147 7.637 11.902 1.00 0.00 N ATOM 1732 CA GLY B 114 8.915 8.198 10.785 1.00 0.00 C ATOM 1733 C GLY B 114 8.666 7.355 9.527 1.00 0.00 C ATOM 1734 O GLY B 114 7.528 7.259 9.059 1.00 0.00 O ATOM 0 HA2 GLY B 114 8.620 9.232 10.608 1.00 0.00 H new ATOM 0 HA3 GLY B 114 9.978 8.207 11.027 1.00 0.00 H new ATOM 1738 N LEU B 115 9.707 6.682 9.037 1.00 0.00 N ATOM 1739 CA LEU B 115 9.661 5.678 7.969 1.00 0.00 C ATOM 1740 C LEU B 115 10.528 4.485 8.426 1.00 0.00 C ATOM 1741 O LEU B 115 11.717 4.683 8.708 1.00 0.00 O ATOM 1742 CB LEU B 115 10.140 6.236 6.613 1.00 0.00 C ATOM 1743 CG LEU B 115 9.078 7.018 5.820 1.00 0.00 C ATOM 1744 CD1 LEU B 115 9.659 7.458 4.477 1.00 0.00 C ATOM 1745 CD2 LEU B 115 7.838 6.172 5.509 1.00 0.00 C ATOM 0 H LEU B 115 10.653 6.828 9.390 1.00 0.00 H new ATOM 0 HA LEU B 115 8.630 5.366 7.803 1.00 0.00 H new ATOM 0 HB2 LEU B 115 10.995 6.889 6.787 1.00 0.00 H new ATOM 0 HB3 LEU B 115 10.492 5.407 6.000 1.00 0.00 H new ATOM 0 HG LEU B 115 8.791 7.866 6.442 1.00 0.00 H new ATOM 0 HD11 LEU B 115 8.904 8.011 3.918 1.00 0.00 H new ATOM 0 HD12 LEU B 115 10.526 8.097 4.647 1.00 0.00 H new ATOM 0 HD13 LEU B 115 9.962 6.580 3.906 1.00 0.00 H new ATOM 0 HD21 LEU B 115 7.120 6.771 4.948 1.00 0.00 H new ATOM 0 HD22 LEU B 115 8.129 5.305 4.916 1.00 0.00 H new ATOM 0 HD23 LEU B 115 7.382 5.838 6.441 1.00 0.00 H new ATOM 1757 N PRO B 116 9.967 3.267 8.544 1.00 0.00 N ATOM 1758 CA PRO B 116 10.690 2.104 9.059 1.00 0.00 C ATOM 1759 C PRO B 116 11.583 1.413 8.020 1.00 0.00 C ATOM 1760 O PRO B 116 11.535 1.706 6.824 1.00 0.00 O ATOM 1761 CB PRO B 116 9.574 1.159 9.511 1.00 0.00 C ATOM 1762 CG PRO B 116 8.489 1.395 8.460 1.00 0.00 C ATOM 1763 CD PRO B 116 8.581 2.907 8.254 1.00 0.00 C ATOM 0 HA PRO B 116 11.381 2.398 9.849 1.00 0.00 H new ATOM 0 HB2 PRO B 116 9.904 0.120 9.526 1.00 0.00 H new ATOM 0 HB3 PRO B 116 9.224 1.397 10.515 1.00 0.00 H new ATOM 0 HG2 PRO B 116 8.684 0.844 7.540 1.00 0.00 H new ATOM 0 HG3 PRO B 116 7.504 1.089 8.813 1.00 0.00 H new ATOM 0 HD2 PRO B 116 8.312 3.179 7.233 1.00 0.00 H new ATOM 0 HD3 PRO B 116 7.894 3.434 8.916 1.00 0.00 H new ATOM 1771 N GLN B 117 12.341 0.420 8.489 1.00 0.00 N ATOM 1772 CA GLN B 117 13.165 -0.483 7.680 1.00 0.00 C ATOM 1773 C GLN B 117 12.645 -1.916 7.864 1.00 0.00 C ATOM 1774 O GLN B 117 13.337 -2.815 8.349 1.00 0.00 O ATOM 1775 CB GLN B 117 14.660 -0.308 8.000 1.00 0.00 C ATOM 1776 CG GLN B 117 15.234 0.891 7.237 1.00 0.00 C ATOM 1777 CD GLN B 117 16.690 1.162 7.613 1.00 0.00 C ATOM 1778 OE1 GLN B 117 17.002 2.008 8.443 1.00 0.00 O ATOM 1779 NE2 GLN B 117 17.639 0.463 7.025 1.00 0.00 N ATOM 0 H GLN B 117 12.401 0.214 9.486 1.00 0.00 H new ATOM 0 HA GLN B 117 13.080 -0.238 6.621 1.00 0.00 H new ATOM 0 HB2 GLN B 117 14.794 -0.163 9.072 1.00 0.00 H new ATOM 0 HB3 GLN B 117 15.204 -1.213 7.730 1.00 0.00 H new ATOM 0 HG2 GLN B 117 15.164 0.706 6.165 1.00 0.00 H new ATOM 0 HG3 GLN B 117 14.634 1.776 7.448 1.00 0.00 H new ATOM 0 HE21 GLN B 117 17.396 -0.245 6.332 1.00 0.00 H new ATOM 0 HE22 GLN B 117 18.617 0.630 7.263 1.00 0.00 H new ATOM 1788 N LEU B 118 11.393 -2.112 7.440 1.00 0.00 N ATOM 1789 CA LEU B 118 10.721 -3.412 7.416 1.00 0.00 C ATOM 1790 C LEU B 118 11.343 -4.290 6.315 1.00 0.00 C ATOM 1791 O LEU B 118 12.117 -3.829 5.471 1.00 0.00 O ATOM 1792 CB LEU B 118 9.217 -3.222 7.137 1.00 0.00 C ATOM 1793 CG LEU B 118 8.405 -2.502 8.223 1.00 0.00 C ATOM 1794 CD1 LEU B 118 7.008 -2.229 7.674 1.00 0.00 C ATOM 1795 CD2 LEU B 118 8.259 -3.314 9.510 1.00 0.00 C ATOM 0 H LEU B 118 10.806 -1.352 7.096 1.00 0.00 H new ATOM 0 HA LEU B 118 10.845 -3.897 8.384 1.00 0.00 H new ATOM 0 HB2 LEU B 118 9.110 -2.666 6.206 1.00 0.00 H new ATOM 0 HB3 LEU B 118 8.773 -4.204 6.974 1.00 0.00 H new ATOM 0 HG LEU B 118 8.942 -1.587 8.474 1.00 0.00 H new ATOM 0 HD11 LEU B 118 6.413 -1.717 8.431 1.00 0.00 H new ATOM 0 HD12 LEU B 118 7.082 -1.602 6.786 1.00 0.00 H new ATOM 0 HD13 LEU B 118 6.529 -3.173 7.413 1.00 0.00 H new ATOM 0 HD21 LEU B 118 7.675 -2.746 10.234 1.00 0.00 H new ATOM 0 HD22 LEU B 118 7.752 -4.254 9.292 1.00 0.00 H new ATOM 0 HD23 LEU B 118 9.246 -3.522 9.923 1.00 0.00 H new ATOM 1807 N THR B 119 10.971 -5.564 6.304 1.00 0.00 N ATOM 1808 CA THR B 119 11.386 -6.550 5.301 1.00 0.00 C ATOM 1809 C THR B 119 10.207 -7.458 4.963 1.00 0.00 C ATOM 1810 O THR B 119 9.230 -7.525 5.717 1.00 0.00 O ATOM 1811 CB THR B 119 12.581 -7.390 5.792 1.00 0.00 C ATOM 1812 OG1 THR B 119 12.263 -8.064 6.993 1.00 0.00 O ATOM 1813 CG2 THR B 119 13.842 -6.548 6.024 1.00 0.00 C ATOM 0 H THR B 119 10.352 -5.957 7.014 1.00 0.00 H new ATOM 0 HA THR B 119 11.707 -6.015 4.407 1.00 0.00 H new ATOM 0 HB THR B 119 12.788 -8.108 4.998 1.00 0.00 H new ATOM 0 HG1 THR B 119 13.035 -8.592 7.286 1.00 0.00 H new ATOM 0 HG21 THR B 119 14.651 -7.192 6.369 1.00 0.00 H new ATOM 0 HG22 THR B 119 14.134 -6.066 5.091 1.00 0.00 H new ATOM 0 HG23 THR B 119 13.638 -5.787 6.777 1.00 0.00 H new ATOM 1821 N SER B 120 10.289 -8.190 3.845 1.00 0.00 N ATOM 1822 CA SER B 120 9.247 -9.158 3.463 1.00 0.00 C ATOM 1823 C SER B 120 9.009 -10.171 4.592 1.00 0.00 C ATOM 1824 O SER B 120 7.860 -10.464 4.907 1.00 0.00 O ATOM 1825 CB SER B 120 9.563 -9.862 2.142 1.00 0.00 C ATOM 1826 OG SER B 120 10.788 -10.576 2.221 1.00 0.00 O ATOM 0 H SER B 120 11.066 -8.132 3.187 1.00 0.00 H new ATOM 0 HA SER B 120 8.326 -8.597 3.304 1.00 0.00 H new ATOM 0 HB2 SER B 120 8.755 -10.548 1.890 1.00 0.00 H new ATOM 0 HB3 SER B 120 9.619 -9.127 1.339 1.00 0.00 H new ATOM 0 HG SER B 120 11.282 -10.472 1.381 1.00 0.00 H new ATOM 1832 N TYR B 121 10.082 -10.652 5.238 1.00 0.00 N ATOM 1833 CA TYR B 121 10.037 -11.544 6.401 1.00 0.00 C ATOM 1834 C TYR B 121 9.204 -10.939 7.544 1.00 0.00 C ATOM 1835 O TYR B 121 8.237 -11.558 7.984 1.00 0.00 O ATOM 1836 CB TYR B 121 11.461 -11.876 6.874 1.00 0.00 C ATOM 1837 CG TYR B 121 11.493 -12.813 8.071 1.00 0.00 C ATOM 1838 CD1 TYR B 121 11.429 -12.295 9.382 1.00 0.00 C ATOM 1839 CD2 TYR B 121 11.536 -14.207 7.872 1.00 0.00 C ATOM 1840 CE1 TYR B 121 11.384 -13.165 10.488 1.00 0.00 C ATOM 1841 CE2 TYR B 121 11.512 -15.083 8.978 1.00 0.00 C ATOM 1842 CZ TYR B 121 11.431 -14.562 10.290 1.00 0.00 C ATOM 1843 OH TYR B 121 11.386 -15.400 11.362 1.00 0.00 O ATOM 0 H TYR B 121 11.034 -10.422 4.954 1.00 0.00 H new ATOM 0 HA TYR B 121 9.547 -12.469 6.097 1.00 0.00 H new ATOM 0 HB2 TYR B 121 12.013 -12.330 6.051 1.00 0.00 H new ATOM 0 HB3 TYR B 121 11.976 -10.951 7.132 1.00 0.00 H new ATOM 0 HD1 TYR B 121 11.414 -11.226 9.538 1.00 0.00 H new ATOM 0 HD2 TYR B 121 11.587 -14.606 6.870 1.00 0.00 H new ATOM 0 HE1 TYR B 121 11.314 -12.764 11.488 1.00 0.00 H new ATOM 0 HE2 TYR B 121 11.555 -16.151 8.822 1.00 0.00 H new ATOM 0 HH TYR B 121 11.427 -16.329 11.053 1.00 0.00 H new ATOM 1853 N ASP B 122 9.552 -9.735 8.020 1.00 0.00 N ATOM 1854 CA ASP B 122 8.818 -9.036 9.088 1.00 0.00 C ATOM 1855 C ASP B 122 7.327 -8.901 8.748 1.00 0.00 C ATOM 1856 O ASP B 122 6.468 -9.235 9.566 1.00 0.00 O ATOM 1857 CB ASP B 122 9.413 -7.640 9.360 1.00 0.00 C ATOM 1858 CG ASP B 122 10.601 -7.608 10.336 1.00 0.00 C ATOM 1859 OD1 ASP B 122 10.963 -8.643 10.941 1.00 0.00 O ATOM 1860 OD2 ASP B 122 11.142 -6.498 10.550 1.00 0.00 O ATOM 0 H ASP B 122 10.357 -9.214 7.673 1.00 0.00 H new ATOM 0 HA ASP B 122 8.919 -9.642 9.988 1.00 0.00 H new ATOM 0 HB2 ASP B 122 9.732 -7.209 8.411 1.00 0.00 H new ATOM 0 HB3 ASP B 122 8.625 -6.998 9.753 1.00 0.00 H new ATOM 1865 N CYS B 123 7.022 -8.423 7.540 1.00 0.00 N ATOM 1866 CA CYS B 123 5.663 -8.242 7.039 1.00 0.00 C ATOM 1867 C CYS B 123 4.879 -9.572 7.005 1.00 0.00 C ATOM 1868 O CYS B 123 3.774 -9.641 7.542 1.00 0.00 O ATOM 1869 CB CYS B 123 5.720 -7.524 5.688 1.00 0.00 C ATOM 1870 SG CYS B 123 6.465 -5.877 5.855 1.00 0.00 S ATOM 0 H CYS B 123 7.735 -8.144 6.866 1.00 0.00 H new ATOM 0 HA CYS B 123 5.099 -7.610 7.726 1.00 0.00 H new ATOM 0 HB2 CYS B 123 6.299 -8.118 4.981 1.00 0.00 H new ATOM 0 HB3 CYS B 123 4.714 -7.432 5.279 1.00 0.00 H new ATOM 0 HG CYS B 123 7.760 -5.987 5.879 1.00 0.00 H new ATOM 1876 N GLU B 124 5.454 -10.636 6.429 1.00 0.00 N ATOM 1877 CA GLU B 124 4.890 -11.998 6.385 1.00 0.00 C ATOM 1878 C GLU B 124 4.579 -12.522 7.798 1.00 0.00 C ATOM 1879 O GLU B 124 3.492 -13.039 8.046 1.00 0.00 O ATOM 1880 CB GLU B 124 5.866 -12.969 5.691 1.00 0.00 C ATOM 1881 CG GLU B 124 5.866 -12.850 4.160 1.00 0.00 C ATOM 1882 CD GLU B 124 7.089 -13.505 3.485 1.00 0.00 C ATOM 1883 OE1 GLU B 124 7.820 -14.314 4.105 1.00 0.00 O ATOM 1884 OE2 GLU B 124 7.335 -13.220 2.287 1.00 0.00 O ATOM 0 H GLU B 124 6.359 -10.573 5.962 1.00 0.00 H new ATOM 0 HA GLU B 124 3.962 -11.945 5.817 1.00 0.00 H new ATOM 0 HB2 GLU B 124 6.874 -12.784 6.062 1.00 0.00 H new ATOM 0 HB3 GLU B 124 5.607 -13.991 5.968 1.00 0.00 H new ATOM 0 HG2 GLU B 124 4.958 -13.309 3.769 1.00 0.00 H new ATOM 0 HG3 GLU B 124 5.833 -11.795 3.887 1.00 0.00 H new ATOM 1891 N VAL B 125 5.532 -12.395 8.725 1.00 0.00 N ATOM 1892 CA VAL B 125 5.439 -12.811 10.135 1.00 0.00 C ATOM 1893 C VAL B 125 4.314 -12.087 10.884 1.00 0.00 C ATOM 1894 O VAL B 125 3.504 -12.724 11.559 1.00 0.00 O ATOM 1895 CB VAL B 125 6.810 -12.605 10.817 1.00 0.00 C ATOM 1896 CG1 VAL B 125 6.776 -12.515 12.349 1.00 0.00 C ATOM 1897 CG2 VAL B 125 7.741 -13.758 10.430 1.00 0.00 C ATOM 0 H VAL B 125 6.437 -11.979 8.506 1.00 0.00 H new ATOM 0 HA VAL B 125 5.181 -13.869 10.168 1.00 0.00 H new ATOM 0 HB VAL B 125 7.163 -11.637 10.461 1.00 0.00 H new ATOM 0 HG11 VAL B 125 7.788 -12.371 12.728 1.00 0.00 H new ATOM 0 HG12 VAL B 125 6.152 -11.673 12.650 1.00 0.00 H new ATOM 0 HG13 VAL B 125 6.364 -13.437 12.759 1.00 0.00 H new ATOM 0 HG21 VAL B 125 8.711 -13.619 10.908 1.00 0.00 H new ATOM 0 HG22 VAL B 125 7.307 -14.702 10.758 1.00 0.00 H new ATOM 0 HG23 VAL B 125 7.869 -13.775 9.348 1.00 0.00 H new ATOM 1907 N ASN B 126 4.276 -10.756 10.804 1.00 0.00 N ATOM 1908 CA ASN B 126 3.310 -9.909 11.510 1.00 0.00 C ATOM 1909 C ASN B 126 1.889 -9.961 10.918 1.00 0.00 C ATOM 1910 O ASN B 126 0.920 -9.975 11.680 1.00 0.00 O ATOM 1911 CB ASN B 126 3.861 -8.477 11.581 1.00 0.00 C ATOM 1912 CG ASN B 126 4.952 -8.340 12.629 1.00 0.00 C ATOM 1913 OD1 ASN B 126 4.709 -7.947 13.758 1.00 0.00 O ATOM 1914 ND2 ASN B 126 6.177 -8.697 12.326 1.00 0.00 N ATOM 0 H ASN B 126 4.932 -10.223 10.233 1.00 0.00 H new ATOM 0 HA ASN B 126 3.193 -10.304 12.519 1.00 0.00 H new ATOM 0 HB2 ASN B 126 4.256 -8.192 10.606 1.00 0.00 H new ATOM 0 HB3 ASN B 126 3.049 -7.787 11.810 1.00 0.00 H new ATOM 0 HD21 ASN B 126 6.913 -8.644 13.031 1.00 0.00 H new ATOM 0 HD22 ASN B 126 6.394 -9.028 11.386 1.00 0.00 H new ATOM 1921 N ALA B 127 1.750 -9.985 9.589 1.00 0.00 N ATOM 1922 CA ALA B 127 0.464 -10.029 8.888 1.00 0.00 C ATOM 1923 C ALA B 127 0.470 -11.039 7.711 1.00 0.00 C ATOM 1924 O ALA B 127 0.516 -10.627 6.543 1.00 0.00 O ATOM 1925 CB ALA B 127 0.108 -8.595 8.461 1.00 0.00 C ATOM 0 H ALA B 127 2.549 -9.974 8.955 1.00 0.00 H new ATOM 0 HA ALA B 127 -0.313 -10.401 9.555 1.00 0.00 H new ATOM 0 HB1 ALA B 127 -0.847 -8.598 7.936 1.00 0.00 H new ATOM 0 HB2 ALA B 127 0.034 -7.960 9.344 1.00 0.00 H new ATOM 0 HB3 ALA B 127 0.884 -8.209 7.800 1.00 0.00 H new ATOM 1931 N PRO B 128 0.393 -12.360 7.988 1.00 0.00 N ATOM 1932 CA PRO B 128 0.358 -13.408 6.962 1.00 0.00 C ATOM 1933 C PRO B 128 -0.778 -13.209 5.953 1.00 0.00 C ATOM 1934 O PRO B 128 -1.911 -12.891 6.328 1.00 0.00 O ATOM 1935 CB PRO B 128 0.185 -14.736 7.713 1.00 0.00 C ATOM 1936 CG PRO B 128 0.652 -14.438 9.134 1.00 0.00 C ATOM 1937 CD PRO B 128 0.325 -12.958 9.316 1.00 0.00 C ATOM 0 HA PRO B 128 1.277 -13.385 6.376 1.00 0.00 H new ATOM 0 HB2 PRO B 128 -0.853 -15.067 7.698 1.00 0.00 H new ATOM 0 HB3 PRO B 128 0.779 -15.529 7.258 1.00 0.00 H new ATOM 0 HG2 PRO B 128 0.131 -15.057 9.865 1.00 0.00 H new ATOM 0 HG3 PRO B 128 1.718 -14.631 9.255 1.00 0.00 H new ATOM 0 HD2 PRO B 128 -0.666 -12.829 9.751 1.00 0.00 H new ATOM 0 HD3 PRO B 128 1.035 -12.483 9.994 1.00 0.00 H new ATOM 1945 N ILE B 129 -0.477 -13.406 4.669 1.00 0.00 N ATOM 1946 CA ILE B 129 -1.427 -13.281 3.552 1.00 0.00 C ATOM 1947 C ILE B 129 -2.563 -14.303 3.738 1.00 0.00 C ATOM 1948 O ILE B 129 -2.314 -15.484 4.001 1.00 0.00 O ATOM 1949 CB ILE B 129 -0.688 -13.456 2.204 1.00 0.00 C ATOM 1950 CG1 ILE B 129 0.424 -12.392 2.036 1.00 0.00 C ATOM 1951 CG2 ILE B 129 -1.658 -13.344 1.014 1.00 0.00 C ATOM 1952 CD1 ILE B 129 1.555 -12.843 1.109 1.00 0.00 C ATOM 0 H ILE B 129 0.461 -13.665 4.364 1.00 0.00 H new ATOM 0 HA ILE B 129 -1.872 -12.286 3.542 1.00 0.00 H new ATOM 0 HB ILE B 129 -0.244 -14.451 2.216 1.00 0.00 H new ATOM 0 HG12 ILE B 129 -0.016 -11.475 1.643 1.00 0.00 H new ATOM 0 HG13 ILE B 129 0.839 -12.152 3.015 1.00 0.00 H new ATOM 0 HG21 ILE B 129 -1.107 -13.472 0.082 1.00 0.00 H new ATOM 0 HG22 ILE B 129 -2.422 -14.118 1.093 1.00 0.00 H new ATOM 0 HG23 ILE B 129 -2.133 -12.363 1.023 1.00 0.00 H new ATOM 0 HD11 ILE B 129 2.301 -12.052 1.034 1.00 0.00 H new ATOM 0 HD12 ILE B 129 2.019 -13.743 1.513 1.00 0.00 H new ATOM 0 HD13 ILE B 129 1.151 -13.056 0.119 1.00 0.00 H new ATOM 1964 N GLN B 130 -3.813 -13.839 3.642 1.00 0.00 N ATOM 1965 CA GLN B 130 -5.032 -14.633 3.856 1.00 0.00 C ATOM 1966 C GLN B 130 -5.100 -15.894 2.975 1.00 0.00 C ATOM 1967 O GLN B 130 -5.313 -17.004 3.470 1.00 0.00 O ATOM 1968 CB GLN B 130 -6.250 -13.719 3.645 1.00 0.00 C ATOM 1969 CG GLN B 130 -7.541 -14.266 4.271 1.00 0.00 C ATOM 1970 CD GLN B 130 -7.484 -14.270 5.798 1.00 0.00 C ATOM 1971 OE1 GLN B 130 -7.504 -15.311 6.444 1.00 0.00 O ATOM 1972 NE2 GLN B 130 -7.405 -13.124 6.437 1.00 0.00 N ATOM 0 H GLN B 130 -4.013 -12.867 3.405 1.00 0.00 H new ATOM 0 HA GLN B 130 -5.023 -15.010 4.879 1.00 0.00 H new ATOM 0 HB2 GLN B 130 -6.036 -12.738 4.070 1.00 0.00 H new ATOM 0 HB3 GLN B 130 -6.406 -13.576 2.576 1.00 0.00 H new ATOM 0 HG2 GLN B 130 -8.387 -13.662 3.942 1.00 0.00 H new ATOM 0 HG3 GLN B 130 -7.715 -15.281 3.913 1.00 0.00 H new ATOM 0 HE21 GLN B 130 -7.387 -12.249 5.914 1.00 0.00 H new ATOM 0 HE22 GLN B 130 -7.361 -13.110 7.456 1.00 0.00 H new ATOM 2037 N LEU B 135 4.536 -12.727 -2.595 1.00 0.00 N ATOM 2038 CA LEU B 135 4.733 -11.401 -3.196 1.00 0.00 C ATOM 2039 C LEU B 135 4.032 -11.162 -4.551 1.00 0.00 C ATOM 2040 O LEU B 135 4.452 -11.662 -5.595 1.00 0.00 O ATOM 2041 CB LEU B 135 6.234 -11.059 -3.311 1.00 0.00 C ATOM 2042 CG LEU B 135 7.055 -11.015 -2.005 1.00 0.00 C ATOM 2043 CD1 LEU B 135 8.378 -10.296 -2.280 1.00 0.00 C ATOM 2044 CD2 LEU B 135 6.365 -10.294 -0.848 1.00 0.00 C ATOM 0 HA LEU B 135 4.239 -10.725 -2.498 1.00 0.00 H new ATOM 0 HB2 LEU B 135 6.696 -11.790 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU B 135 6.322 -10.087 -3.797 1.00 0.00 H new ATOM 0 HG LEU B 135 7.191 -12.053 -1.700 1.00 0.00 H new ATOM 0 HD11 LEU B 135 8.968 -10.258 -1.365 1.00 0.00 H new ATOM 0 HD12 LEU B 135 8.933 -10.836 -3.047 1.00 0.00 H new ATOM 0 HD13 LEU B 135 8.176 -9.282 -2.624 1.00 0.00 H new ATOM 0 HD21 LEU B 135 7.012 -10.311 0.029 1.00 0.00 H new ATOM 0 HD22 LEU B 135 6.164 -9.261 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU B 135 5.426 -10.796 -0.615 1.00 0.00 H new ATOM 2056 N LEU B 136 3.002 -10.317 -4.512 1.00 0.00 N ATOM 2057 CA LEU B 136 2.235 -9.733 -5.617 1.00 0.00 C ATOM 2058 C LEU B 136 3.181 -8.753 -6.356 1.00 0.00 C ATOM 2059 O LEU B 136 3.917 -8.014 -5.699 1.00 0.00 O ATOM 2060 CB LEU B 136 1.035 -9.033 -4.931 1.00 0.00 C ATOM 2061 CG LEU B 136 -0.141 -8.477 -5.748 1.00 0.00 C ATOM 2062 CD1 LEU B 136 0.275 -7.476 -6.812 1.00 0.00 C ATOM 2063 CD2 LEU B 136 -0.996 -9.554 -6.409 1.00 0.00 C ATOM 0 H LEU B 136 2.646 -9.990 -3.614 1.00 0.00 H new ATOM 0 HA LEU B 136 1.865 -10.440 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU B 136 0.618 -9.744 -4.218 1.00 0.00 H new ATOM 0 HB3 LEU B 136 1.440 -8.203 -4.353 1.00 0.00 H new ATOM 0 HG LEU B 136 -0.740 -7.965 -4.995 1.00 0.00 H new ATOM 0 HD11 LEU B 136 -0.608 -7.127 -7.348 1.00 0.00 H new ATOM 0 HD12 LEU B 136 0.772 -6.628 -6.340 1.00 0.00 H new ATOM 0 HD13 LEU B 136 0.960 -7.953 -7.513 1.00 0.00 H new ATOM 0 HD21 LEU B 136 -1.806 -9.084 -6.967 1.00 0.00 H new ATOM 0 HD22 LEU B 136 -0.379 -10.142 -7.089 1.00 0.00 H new ATOM 0 HD23 LEU B 136 -1.415 -10.207 -5.643 1.00 0.00 H new ATOM 2075 N GLN B 137 3.224 -8.752 -7.695 1.00 0.00 N ATOM 2076 CA GLN B 137 4.157 -7.921 -8.481 1.00 0.00 C ATOM 2077 C GLN B 137 3.582 -7.301 -9.776 1.00 0.00 C ATOM 2078 O GLN B 137 2.510 -7.675 -10.252 1.00 0.00 O ATOM 2079 CB GLN B 137 5.426 -8.749 -8.785 1.00 0.00 C ATOM 2080 CG GLN B 137 5.210 -9.931 -9.749 1.00 0.00 C ATOM 2081 CD GLN B 137 4.634 -11.174 -9.073 1.00 0.00 C ATOM 2082 OE1 GLN B 137 3.431 -11.412 -9.058 1.00 0.00 O ATOM 2083 NE2 GLN B 137 5.466 -12.026 -8.512 1.00 0.00 N ATOM 0 H GLN B 137 2.611 -9.329 -8.270 1.00 0.00 H new ATOM 0 HA GLN B 137 4.384 -7.055 -7.859 1.00 0.00 H new ATOM 0 HB2 GLN B 137 6.182 -8.087 -9.207 1.00 0.00 H new ATOM 0 HB3 GLN B 137 5.826 -9.132 -7.846 1.00 0.00 H new ATOM 0 HG2 GLN B 137 4.539 -9.619 -10.549 1.00 0.00 H new ATOM 0 HG3 GLN B 137 6.162 -10.188 -10.214 1.00 0.00 H new ATOM 0 HE21 GLN B 137 6.469 -11.839 -8.518 1.00 0.00 H new ATOM 0 HE22 GLN B 137 5.108 -12.873 -8.071 1.00 0.00 H new ATOM 2092 N GLY B 138 4.341 -6.366 -10.362 1.00 0.00 N ATOM 2093 CA GLY B 138 4.066 -5.656 -11.622 1.00 0.00 C ATOM 2094 C GLY B 138 2.736 -4.904 -11.686 1.00 0.00 C ATOM 2095 O GLY B 138 2.327 -4.286 -10.708 1.00 0.00 O ATOM 0 H GLY B 138 5.221 -6.064 -9.943 1.00 0.00 H new ATOM 0 HA2 GLY B 138 4.873 -4.945 -11.800 1.00 0.00 H new ATOM 0 HA3 GLY B 138 4.093 -6.379 -12.438 1.00 0.00 H new ATOM 2099 N GLU B 139 2.067 -4.910 -12.843 1.00 0.00 N ATOM 2100 CA GLU B 139 0.800 -4.187 -13.062 1.00 0.00 C ATOM 2101 C GLU B 139 -0.287 -4.547 -12.031 1.00 0.00 C ATOM 2102 O GLU B 139 -1.071 -3.684 -11.630 1.00 0.00 O ATOM 2103 CB GLU B 139 0.308 -4.392 -14.504 1.00 0.00 C ATOM 2104 CG GLU B 139 -0.777 -3.371 -14.880 1.00 0.00 C ATOM 2105 CD GLU B 139 -1.228 -3.532 -16.341 1.00 0.00 C ATOM 2106 OE1 GLU B 139 -0.484 -3.122 -17.267 1.00 0.00 O ATOM 2107 OE2 GLU B 139 -2.345 -4.056 -16.569 1.00 0.00 O ATOM 0 H GLU B 139 2.389 -5.421 -13.665 1.00 0.00 H new ATOM 0 HA GLU B 139 1.006 -3.127 -12.913 1.00 0.00 H new ATOM 0 HB2 GLU B 139 1.148 -4.302 -15.192 1.00 0.00 H new ATOM 0 HB3 GLU B 139 -0.087 -5.402 -14.614 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -1.635 -3.492 -14.219 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -0.396 -2.362 -14.726 1.00 0.00 H new ATOM 2114 N GLU B 140 -0.309 -5.796 -11.554 1.00 0.00 N ATOM 2115 CA GLU B 140 -1.230 -6.259 -10.509 1.00 0.00 C ATOM 2116 C GLU B 140 -1.134 -5.401 -9.234 1.00 0.00 C ATOM 2117 O GLU B 140 -2.155 -5.184 -8.581 1.00 0.00 O ATOM 2118 CB GLU B 140 -1.000 -7.736 -10.164 1.00 0.00 C ATOM 2119 CG GLU B 140 -1.086 -8.707 -11.347 1.00 0.00 C ATOM 2120 CD GLU B 140 -2.420 -8.614 -12.115 1.00 0.00 C ATOM 2121 OE1 GLU B 140 -3.502 -8.720 -11.489 1.00 0.00 O ATOM 2122 OE2 GLU B 140 -2.393 -8.453 -13.359 1.00 0.00 O ATOM 0 H GLU B 140 0.322 -6.525 -11.888 1.00 0.00 H new ATOM 0 HA GLU B 140 -2.235 -6.151 -10.917 1.00 0.00 H new ATOM 0 HB2 GLU B 140 -0.017 -7.836 -9.704 1.00 0.00 H new ATOM 0 HB3 GLU B 140 -1.734 -8.036 -9.415 1.00 0.00 H new ATOM 0 HG2 GLU B 140 -0.264 -8.506 -12.034 1.00 0.00 H new ATOM 0 HG3 GLU B 140 -0.955 -9.726 -10.983 1.00 0.00 H new ATOM 2129 N LEU B 141 0.058 -4.875 -8.897 1.00 0.00 N ATOM 2130 CA LEU B 141 0.260 -3.954 -7.769 1.00 0.00 C ATOM 2131 C LEU B 141 -0.649 -2.741 -7.963 1.00 0.00 C ATOM 2132 O LEU B 141 -1.482 -2.443 -7.114 1.00 0.00 O ATOM 2133 CB LEU B 141 1.720 -3.461 -7.673 1.00 0.00 C ATOM 2134 CG LEU B 141 2.769 -4.522 -7.308 1.00 0.00 C ATOM 2135 CD1 LEU B 141 4.145 -4.053 -7.780 1.00 0.00 C ATOM 2136 CD2 LEU B 141 2.856 -4.710 -5.794 1.00 0.00 C ATOM 0 H LEU B 141 0.916 -5.082 -9.408 1.00 0.00 H new ATOM 0 HA LEU B 141 0.024 -4.491 -6.850 1.00 0.00 H new ATOM 0 HB2 LEU B 141 1.997 -3.020 -8.631 1.00 0.00 H new ATOM 0 HB3 LEU B 141 1.765 -2.664 -6.930 1.00 0.00 H new ATOM 0 HG LEU B 141 2.476 -5.458 -7.783 1.00 0.00 H new ATOM 0 HD11 LEU B 141 4.893 -4.803 -7.523 1.00 0.00 H new ATOM 0 HD12 LEU B 141 4.130 -3.911 -8.861 1.00 0.00 H new ATOM 0 HD13 LEU B 141 4.395 -3.110 -7.293 1.00 0.00 H new ATOM 0 HD21 LEU B 141 3.606 -5.467 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU B 141 3.137 -3.767 -5.326 1.00 0.00 H new ATOM 0 HD23 LEU B 141 1.887 -5.031 -5.411 1.00 0.00 H new ATOM 2148 N LEU B 142 -0.497 -2.056 -9.100 1.00 0.00 N ATOM 2149 CA LEU B 142 -1.267 -0.867 -9.459 1.00 0.00 C ATOM 2150 C LEU B 142 -2.774 -1.154 -9.440 1.00 0.00 C ATOM 2151 O LEU B 142 -3.520 -0.385 -8.839 1.00 0.00 O ATOM 2152 CB LEU B 142 -0.794 -0.280 -10.800 1.00 0.00 C ATOM 2153 CG LEU B 142 0.728 -0.074 -10.951 1.00 0.00 C ATOM 2154 CD1 LEU B 142 0.979 0.904 -12.096 1.00 0.00 C ATOM 2155 CD2 LEU B 142 1.417 0.499 -9.709 1.00 0.00 C ATOM 0 H LEU B 142 0.183 -2.322 -9.813 1.00 0.00 H new ATOM 0 HA LEU B 142 -1.085 -0.104 -8.702 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -1.132 -0.937 -11.601 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -1.287 0.681 -10.947 1.00 0.00 H new ATOM 0 HG LEU B 142 1.146 -1.065 -11.129 1.00 0.00 H new ATOM 0 HD11 LEU B 142 2.052 1.059 -12.214 1.00 0.00 H new ATOM 0 HD12 LEU B 142 0.568 0.496 -13.019 1.00 0.00 H new ATOM 0 HD13 LEU B 142 0.497 1.856 -11.873 1.00 0.00 H new ATOM 0 HD21 LEU B 142 2.484 0.611 -9.904 1.00 0.00 H new ATOM 0 HD22 LEU B 142 0.988 1.472 -9.471 1.00 0.00 H new ATOM 0 HD23 LEU B 142 1.271 -0.178 -8.867 1.00 0.00 H new ATOM 2167 N ARG B 143 -3.222 -2.270 -10.037 1.00 0.00 N ATOM 2168 CA ARG B 143 -4.631 -2.719 -10.010 1.00 0.00 C ATOM 2169 C ARG B 143 -5.141 -2.844 -8.567 1.00 0.00 C ATOM 2170 O ARG B 143 -6.209 -2.322 -8.245 1.00 0.00 O ATOM 2171 CB ARG B 143 -4.804 -4.047 -10.767 1.00 0.00 C ATOM 2172 CG ARG B 143 -4.520 -3.942 -12.274 1.00 0.00 C ATOM 2173 CD ARG B 143 -4.738 -5.307 -12.937 1.00 0.00 C ATOM 2174 NE ARG B 143 -4.347 -5.306 -14.360 1.00 0.00 N ATOM 2175 CZ ARG B 143 -4.668 -6.208 -15.271 1.00 0.00 C ATOM 2176 NH1 ARG B 143 -5.436 -7.228 -15.012 1.00 0.00 N ATOM 2177 NH2 ARG B 143 -4.215 -6.088 -16.483 1.00 0.00 N ATOM 0 H ARG B 143 -2.611 -2.897 -10.560 1.00 0.00 H new ATOM 0 HA ARG B 143 -5.230 -1.963 -10.517 1.00 0.00 H new ATOM 0 HB2 ARG B 143 -4.138 -4.792 -10.332 1.00 0.00 H new ATOM 0 HB3 ARG B 143 -5.823 -4.407 -10.623 1.00 0.00 H new ATOM 0 HG2 ARG B 143 -5.176 -3.198 -12.727 1.00 0.00 H new ATOM 0 HG3 ARG B 143 -3.496 -3.606 -12.438 1.00 0.00 H new ATOM 0 HD2 ARG B 143 -4.162 -6.064 -12.404 1.00 0.00 H new ATOM 0 HD3 ARG B 143 -5.788 -5.587 -12.851 1.00 0.00 H new ATOM 0 HE ARG B 143 -3.768 -4.527 -14.673 1.00 0.00 H new ATOM 0 HH11 ARG B 143 -5.816 -7.355 -14.074 1.00 0.00 H new ATOM 0 HH12 ARG B 143 -5.657 -7.900 -15.747 1.00 0.00 H new ATOM 0 HH21 ARG B 143 -3.615 -5.300 -16.727 1.00 0.00 H new ATOM 0 HH22 ARG B 143 -4.460 -6.781 -17.190 1.00 0.00 H new ATOM 2191 N ALA B 144 -4.376 -3.510 -7.700 1.00 0.00 N ATOM 2192 CA ALA B 144 -4.669 -3.675 -6.278 1.00 0.00 C ATOM 2193 C ALA B 144 -4.759 -2.312 -5.554 1.00 0.00 C ATOM 2194 O ALA B 144 -5.732 -2.073 -4.839 1.00 0.00 O ATOM 2195 CB ALA B 144 -3.630 -4.619 -5.654 1.00 0.00 C ATOM 0 H ALA B 144 -3.506 -3.964 -7.980 1.00 0.00 H new ATOM 0 HA ALA B 144 -5.652 -4.131 -6.160 1.00 0.00 H new ATOM 0 HB1 ALA B 144 -3.844 -4.745 -4.593 1.00 0.00 H new ATOM 0 HB2 ALA B 144 -3.674 -5.588 -6.151 1.00 0.00 H new ATOM 0 HB3 ALA B 144 -2.633 -4.194 -5.775 1.00 0.00 H new ATOM 2201 N LEU B 145 -3.791 -1.402 -5.750 1.00 0.00 N ATOM 2202 CA LEU B 145 -3.807 -0.044 -5.177 1.00 0.00 C ATOM 2203 C LEU B 145 -5.039 0.757 -5.630 1.00 0.00 C ATOM 2204 O LEU B 145 -5.673 1.450 -4.836 1.00 0.00 O ATOM 2205 CB LEU B 145 -2.545 0.761 -5.559 1.00 0.00 C ATOM 2206 CG LEU B 145 -1.181 0.221 -5.101 1.00 0.00 C ATOM 2207 CD1 LEU B 145 -0.079 1.199 -5.475 1.00 0.00 C ATOM 2208 CD2 LEU B 145 -1.095 -0.007 -3.601 1.00 0.00 C ATOM 0 H LEU B 145 -2.965 -1.590 -6.318 1.00 0.00 H new ATOM 0 HA LEU B 145 -3.838 -0.184 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -2.522 0.850 -6.645 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -2.657 1.769 -5.159 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.061 -0.738 -5.604 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.883 0.806 -5.146 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.065 1.335 -6.556 1.00 0.00 H new ATOM 0 HD13 LEU B 145 -0.264 2.158 -4.991 1.00 0.00 H new ATOM 0 HD21 LEU B 145 -0.106 -0.388 -3.347 1.00 0.00 H new ATOM 0 HD22 LEU B 145 -1.266 0.935 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU B 145 -1.852 -0.731 -3.299 1.00 0.00 H new ATOM 2220 N ASP B 146 -5.356 0.703 -6.923 1.00 0.00 N ATOM 2221 CA ASP B 146 -6.448 1.439 -7.562 1.00 0.00 C ATOM 2222 C ASP B 146 -7.855 1.107 -7.037 1.00 0.00 C ATOM 2223 O ASP B 146 -8.757 1.938 -7.162 1.00 0.00 O ATOM 2224 CB ASP B 146 -6.369 1.241 -9.083 1.00 0.00 C ATOM 2225 CG ASP B 146 -7.130 2.338 -9.830 1.00 0.00 C ATOM 2226 OD1 ASP B 146 -6.726 3.515 -9.667 1.00 0.00 O ATOM 2227 OD2 ASP B 146 -8.085 2.038 -10.582 1.00 0.00 O ATOM 0 H ASP B 146 -4.838 0.121 -7.582 1.00 0.00 H new ATOM 0 HA ASP B 146 -6.303 2.487 -7.299 1.00 0.00 H new ATOM 0 HB2 ASP B 146 -5.325 1.242 -9.398 1.00 0.00 H new ATOM 0 HB3 ASP B 146 -6.781 0.267 -9.346 1.00 0.00 H new ATOM 2232 N GLN B 147 -8.062 -0.074 -6.442 1.00 0.00 N ATOM 2233 CA GLN B 147 -9.364 -0.487 -5.899 1.00 0.00 C ATOM 2234 C GLN B 147 -9.901 0.440 -4.781 1.00 0.00 C ATOM 2235 O GLN B 147 -11.102 0.420 -4.502 1.00 0.00 O ATOM 2236 CB GLN B 147 -9.351 -1.983 -5.522 1.00 0.00 C ATOM 2237 CG GLN B 147 -8.912 -2.280 -4.081 1.00 0.00 C ATOM 2238 CD GLN B 147 -8.679 -3.769 -3.796 1.00 0.00 C ATOM 2239 OE1 GLN B 147 -9.024 -4.664 -4.559 1.00 0.00 O ATOM 2240 NE2 GLN B 147 -8.089 -4.097 -2.668 1.00 0.00 N ATOM 0 H GLN B 147 -7.329 -0.773 -6.323 1.00 0.00 H new ATOM 0 HA GLN B 147 -10.096 -0.367 -6.697 1.00 0.00 H new ATOM 0 HB2 GLN B 147 -10.351 -2.390 -5.674 1.00 0.00 H new ATOM 0 HB3 GLN B 147 -8.685 -2.510 -6.206 1.00 0.00 H new ATOM 0 HG2 GLN B 147 -7.993 -1.732 -3.871 1.00 0.00 H new ATOM 0 HG3 GLN B 147 -9.671 -1.904 -3.395 1.00 0.00 H new ATOM 0 HE21 GLN B 147 -7.793 -3.370 -2.017 1.00 0.00 H new ATOM 0 HE22 GLN B 147 -7.927 -5.079 -2.444 1.00 0.00 H new ATOM 2249 N VAL B 148 -9.050 1.273 -4.156 1.00 0.00 N ATOM 2250 CA VAL B 148 -9.465 2.278 -3.161 1.00 0.00 C ATOM 2251 C VAL B 148 -10.207 3.409 -3.892 1.00 0.00 C ATOM 2252 O VAL B 148 -9.615 4.095 -4.734 1.00 0.00 O ATOM 2253 CB VAL B 148 -8.274 2.920 -2.413 1.00 0.00 C ATOM 2254 CG1 VAL B 148 -8.788 3.695 -1.191 1.00 0.00 C ATOM 2255 CG2 VAL B 148 -7.225 1.952 -1.877 1.00 0.00 C ATOM 0 H VAL B 148 -8.045 1.267 -4.329 1.00 0.00 H new ATOM 0 HA VAL B 148 -10.089 1.764 -2.430 1.00 0.00 H new ATOM 0 HB VAL B 148 -7.798 3.543 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -7.946 4.146 -0.666 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -9.473 4.477 -1.518 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -9.310 3.012 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -6.438 2.512 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -7.691 1.264 -1.172 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -6.795 1.387 -2.704 1.00 0.00 H new ATOM 2265 N ASN B 149 -11.485 3.633 -3.578 1.00 0.00 N ATOM 2266 CA ASN B 149 -12.306 4.713 -4.154 1.00 0.00 C ATOM 2267 C ASN B 149 -13.424 5.197 -3.201 1.00 0.00 C ATOM 2268 O ASN B 149 -13.326 4.963 -1.975 1.00 0.00 O ATOM 2269 CB ASN B 149 -12.816 4.275 -5.555 1.00 0.00 C ATOM 2270 CG ASN B 149 -13.860 3.162 -5.581 1.00 0.00 C ATOM 2271 OD1 ASN B 149 -13.658 2.091 -6.140 1.00 0.00 O ATOM 2272 ND2 ASN B 149 -15.021 3.390 -5.014 1.00 0.00 N ATOM 2273 OXT ASN B 149 -14.397 5.809 -3.697 1.00 0.00 O ATOM 0 H ASN B 149 -11.993 3.060 -2.904 1.00 0.00 H new ATOM 0 HA ASN B 149 -11.683 5.598 -4.287 1.00 0.00 H new ATOM 0 HB2 ASN B 149 -13.236 5.148 -6.054 1.00 0.00 H new ATOM 0 HB3 ASN B 149 -11.958 3.952 -6.145 1.00 0.00 H new ATOM 0 HD21 ASN B 149 -15.750 2.677 -5.040 1.00 0.00 H new ATOM 0 HD22 ASN B 149 -15.195 4.280 -4.547 1.00 0.00 H new