USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 562 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 72 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 74 ASN : amide:sc= -0.586 K(o=-0.59,f=-2.2) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.112 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 38:sc= 0.141 USER MOD Single : A 8 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.016) USER MOD Single : A 13 ASN : amide:sc= -0.118 K(o=-0.12,f=-0.7) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 21 THR OG1 : rot 170:sc= -1.97 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0465 K(o=-0.047,f=-0.95) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -1.12 K(o=-1.1,f=0.1) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-2.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 69 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.38) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 178:sc= -0.467 (180deg=-0.468) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.816 12.795 -3.946 1.00 0.00 N ATOM 2 CA GLY A 1 19.510 12.320 -2.763 1.00 0.00 C ATOM 3 C GLY A 1 18.934 11.021 -2.236 1.00 0.00 C ATOM 4 O GLY A 1 17.967 10.494 -2.786 1.00 0.00 O ATOM 0 H1 GLY A 1 19.486 12.859 -4.739 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.053 12.132 -4.190 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.411 13.734 -3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.565 12.178 -2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.456 13.080 -1.984 1.00 0.00 H new ATOM 8 N SER A 2 19.530 10.502 -1.167 1.00 0.00 N ATOM 9 CA SER A 2 19.074 9.253 -0.568 1.00 0.00 C ATOM 10 C SER A 2 19.328 9.247 0.936 1.00 0.00 C ATOM 11 O SER A 2 20.149 10.013 1.441 1.00 0.00 O ATOM 12 CB SER A 2 19.779 8.063 -1.221 1.00 0.00 C ATOM 13 OG SER A 2 21.186 8.176 -1.103 1.00 0.00 O ATOM 0 H SER A 2 20.330 10.927 -0.698 1.00 0.00 H new ATOM 0 HA SER A 2 18.001 9.168 -0.737 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.445 7.137 -0.753 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.503 8.006 -2.274 1.00 0.00 H new ATOM 0 HG SER A 2 21.613 7.402 -1.527 1.00 0.00 H new ATOM 19 N SER A 3 18.617 8.378 1.646 1.00 0.00 N ATOM 20 CA SER A 3 18.762 8.273 3.094 1.00 0.00 C ATOM 21 C SER A 3 18.450 6.858 3.570 1.00 0.00 C ATOM 22 O SER A 3 17.369 6.329 3.315 1.00 0.00 O ATOM 23 CB SER A 3 17.841 9.274 3.793 1.00 0.00 C ATOM 24 OG SER A 3 18.381 9.682 5.038 1.00 0.00 O ATOM 0 H SER A 3 17.935 7.736 1.243 1.00 0.00 H new ATOM 0 HA SER A 3 19.797 8.503 3.349 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.694 10.145 3.154 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.861 8.824 3.949 1.00 0.00 H new ATOM 0 HG SER A 3 17.774 10.323 5.464 1.00 0.00 H new ATOM 30 N GLY A 4 19.406 6.249 4.265 1.00 0.00 N ATOM 31 CA GLY A 4 19.215 4.901 4.767 1.00 0.00 C ATOM 32 C GLY A 4 18.666 4.881 6.180 1.00 0.00 C ATOM 33 O GLY A 4 18.240 5.910 6.702 1.00 0.00 O ATOM 0 H GLY A 4 20.310 6.665 4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.533 4.364 4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.166 4.369 4.742 1.00 0.00 H new ATOM 37 N SER A 5 18.674 3.705 6.799 1.00 0.00 N ATOM 38 CA SER A 5 18.167 3.553 8.158 1.00 0.00 C ATOM 39 C SER A 5 18.942 2.474 8.909 1.00 0.00 C ATOM 40 O SER A 5 19.701 1.710 8.312 1.00 0.00 O ATOM 41 CB SER A 5 16.678 3.204 8.134 1.00 0.00 C ATOM 42 OG SER A 5 16.456 1.961 7.491 1.00 0.00 O ATOM 0 H SER A 5 19.026 2.844 6.381 1.00 0.00 H new ATOM 0 HA SER A 5 18.302 4.502 8.678 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.294 3.163 9.153 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.126 3.988 7.617 1.00 0.00 H new ATOM 0 HG SER A 5 15.497 1.760 7.490 1.00 0.00 H new ATOM 48 N SER A 6 18.745 2.419 10.222 1.00 0.00 N ATOM 49 CA SER A 6 19.427 1.436 11.057 1.00 0.00 C ATOM 50 C SER A 6 18.434 0.703 11.955 1.00 0.00 C ATOM 51 O SER A 6 17.668 1.325 12.689 1.00 0.00 O ATOM 52 CB SER A 6 20.497 2.118 11.911 1.00 0.00 C ATOM 53 OG SER A 6 19.932 3.130 12.726 1.00 0.00 O ATOM 0 H SER A 6 18.119 3.043 10.731 1.00 0.00 H new ATOM 0 HA SER A 6 19.904 0.707 10.402 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.993 1.377 12.538 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.260 2.551 11.265 1.00 0.00 H new ATOM 0 HG SER A 6 19.057 2.835 13.055 1.00 0.00 H new ATOM 59 N GLY A 7 18.455 -0.625 11.888 1.00 0.00 N ATOM 60 CA GLY A 7 17.553 -1.422 12.699 1.00 0.00 C ATOM 61 C GLY A 7 17.949 -2.885 12.738 1.00 0.00 C ATOM 62 O GLY A 7 18.808 -3.324 11.973 1.00 0.00 O ATOM 0 H GLY A 7 19.080 -1.163 11.287 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.536 -1.026 13.714 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.540 -1.333 12.305 1.00 0.00 H new ATOM 66 N HIS A 8 17.321 -3.642 13.632 1.00 0.00 N ATOM 67 CA HIS A 8 17.613 -5.065 13.768 1.00 0.00 C ATOM 68 C HIS A 8 16.632 -5.901 12.953 1.00 0.00 C ATOM 69 O HIS A 8 15.491 -5.496 12.733 1.00 0.00 O ATOM 70 CB HIS A 8 17.557 -5.480 15.239 1.00 0.00 C ATOM 71 CG HIS A 8 18.651 -4.886 16.072 1.00 0.00 C ATOM 72 ND1 HIS A 8 19.156 -5.500 17.199 1.00 0.00 N ATOM 73 CD2 HIS A 8 19.338 -3.728 15.935 1.00 0.00 C ATOM 74 CE1 HIS A 8 20.106 -4.744 17.720 1.00 0.00 C ATOM 75 NE2 HIS A 8 20.236 -3.663 16.972 1.00 0.00 N ATOM 0 H HIS A 8 16.607 -3.294 14.273 1.00 0.00 H new ATOM 0 HA HIS A 8 18.618 -5.243 13.386 1.00 0.00 H new ATOM 0 HB2 HIS A 8 16.594 -5.184 15.655 1.00 0.00 H new ATOM 0 HB3 HIS A 8 17.612 -6.567 15.304 1.00 0.00 H new ATOM 0 HD2 HIS A 8 19.205 -2.992 15.156 1.00 0.00 H new ATOM 0 HE1 HIS A 8 20.679 -4.971 18.607 1.00 0.00 H new ATOM 0 HE2 HIS A 8 20.896 -2.903 17.138 1.00 0.00 H new ATOM 84 N GLU A 9 17.085 -7.069 12.508 1.00 0.00 N ATOM 85 CA GLU A 9 16.247 -7.961 11.716 1.00 0.00 C ATOM 86 C GLU A 9 15.740 -9.126 12.561 1.00 0.00 C ATOM 87 O GLU A 9 16.460 -9.648 13.413 1.00 0.00 O ATOM 88 CB GLU A 9 17.025 -8.493 10.510 1.00 0.00 C ATOM 89 CG GLU A 9 17.293 -7.441 9.447 1.00 0.00 C ATOM 90 CD GLU A 9 18.081 -6.260 9.979 1.00 0.00 C ATOM 91 OE1 GLU A 9 19.177 -6.481 10.536 1.00 0.00 O ATOM 92 OE2 GLU A 9 17.602 -5.115 9.840 1.00 0.00 O ATOM 0 H GLU A 9 18.027 -7.419 12.683 1.00 0.00 H new ATOM 0 HA GLU A 9 15.388 -7.390 11.362 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.976 -8.901 10.853 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.467 -9.316 10.063 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.840 -7.896 8.621 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.344 -7.088 9.044 1.00 0.00 H new ATOM 99 N ARG A 10 14.496 -9.527 12.321 1.00 0.00 N ATOM 100 CA ARG A 10 13.892 -10.628 13.061 1.00 0.00 C ATOM 101 C ARG A 10 13.545 -11.785 12.128 1.00 0.00 C ATOM 102 O ARG A 10 12.413 -11.900 11.658 1.00 0.00 O ATOM 103 CB ARG A 10 12.634 -10.152 13.789 1.00 0.00 C ATOM 104 CG ARG A 10 11.610 -9.500 12.874 1.00 0.00 C ATOM 105 CD ARG A 10 10.709 -8.543 13.638 1.00 0.00 C ATOM 106 NE ARG A 10 9.596 -9.236 14.282 1.00 0.00 N ATOM 107 CZ ARG A 10 8.853 -8.698 15.242 1.00 0.00 C ATOM 108 NH1 ARG A 10 9.101 -7.466 15.666 1.00 0.00 N ATOM 109 NH2 ARG A 10 7.857 -9.391 15.780 1.00 0.00 N ATOM 0 H ARG A 10 13.887 -9.106 11.620 1.00 0.00 H new ATOM 0 HA ARG A 10 14.617 -10.980 13.795 1.00 0.00 H new ATOM 0 HB2 ARG A 10 12.171 -11.002 14.291 1.00 0.00 H new ATOM 0 HB3 ARG A 10 12.920 -9.441 14.564 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.123 -8.961 12.078 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.004 -10.270 12.398 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.295 -8.018 14.393 1.00 0.00 H new ATOM 0 HD3 ARG A 10 10.320 -7.788 12.955 1.00 0.00 H new ATOM 0 HE ARG A 10 9.378 -10.185 13.978 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.864 -6.929 15.254 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.528 -7.056 16.404 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.661 -10.338 15.456 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.287 -8.976 16.517 1.00 0.00 H new ATOM 123 N VAL A 11 14.528 -12.640 11.863 1.00 0.00 N ATOM 124 CA VAL A 11 14.327 -13.788 10.987 1.00 0.00 C ATOM 125 C VAL A 11 13.384 -13.445 9.839 1.00 0.00 C ATOM 126 O VAL A 11 12.612 -14.287 9.383 1.00 0.00 O ATOM 127 CB VAL A 11 13.759 -14.992 11.761 1.00 0.00 C ATOM 128 CG1 VAL A 11 12.339 -14.707 12.225 1.00 0.00 C ATOM 129 CG2 VAL A 11 13.806 -16.247 10.903 1.00 0.00 C ATOM 0 H VAL A 11 15.471 -12.559 12.243 1.00 0.00 H new ATOM 0 HA VAL A 11 15.304 -14.053 10.584 1.00 0.00 H new ATOM 0 HB VAL A 11 14.377 -15.159 12.643 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.954 -15.569 12.770 1.00 0.00 H new ATOM 0 HG12 VAL A 11 12.338 -13.835 12.878 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.706 -14.513 11.360 1.00 0.00 H new ATOM 0 HG21 VAL A 11 13.401 -17.088 11.466 1.00 0.00 H new ATOM 0 HG22 VAL A 11 13.213 -16.094 10.002 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.838 -16.460 10.626 1.00 0.00 H new ATOM 139 N GLY A 12 13.454 -12.201 9.375 1.00 0.00 N ATOM 140 CA GLY A 12 12.601 -11.768 8.283 1.00 0.00 C ATOM 141 C GLY A 12 13.385 -11.133 7.152 1.00 0.00 C ATOM 142 O GLY A 12 13.578 -9.919 7.127 1.00 0.00 O ATOM 0 H GLY A 12 14.086 -11.486 9.735 1.00 0.00 H new ATOM 0 HA2 GLY A 12 12.044 -12.623 7.900 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.869 -11.054 8.659 1.00 0.00 H new ATOM 146 N ASN A 13 13.840 -11.958 6.214 1.00 0.00 N ATOM 147 CA ASN A 13 14.610 -11.470 5.076 1.00 0.00 C ATOM 148 C ASN A 13 13.690 -10.895 4.003 1.00 0.00 C ATOM 149 O ASN A 13 12.750 -11.554 3.557 1.00 0.00 O ATOM 150 CB ASN A 13 15.458 -12.599 4.485 1.00 0.00 C ATOM 151 CG ASN A 13 16.135 -13.433 5.555 1.00 0.00 C ATOM 152 OD1 ASN A 13 16.434 -12.943 6.644 1.00 0.00 O ATOM 153 ND2 ASN A 13 16.381 -14.702 5.248 1.00 0.00 N ATOM 0 H ASN A 13 13.689 -12.967 6.220 1.00 0.00 H new ATOM 0 HA ASN A 13 15.269 -10.676 5.429 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.826 -13.242 3.872 1.00 0.00 H new ATOM 0 HB3 ASN A 13 16.215 -12.174 3.826 1.00 0.00 H new ATOM 0 HD21 ASN A 13 16.835 -15.312 5.928 1.00 0.00 H new ATOM 0 HD22 ASN A 13 16.116 -15.066 4.333 1.00 0.00 H new ATOM 160 N LEU A 14 13.968 -9.663 3.592 1.00 0.00 N ATOM 161 CA LEU A 14 13.166 -8.998 2.570 1.00 0.00 C ATOM 162 C LEU A 14 13.965 -8.817 1.283 1.00 0.00 C ATOM 163 O LEU A 14 14.632 -7.802 1.093 1.00 0.00 O ATOM 164 CB LEU A 14 12.682 -7.639 3.078 1.00 0.00 C ATOM 165 CG LEU A 14 11.427 -7.080 2.407 1.00 0.00 C ATOM 166 CD1 LEU A 14 11.717 -6.706 0.961 1.00 0.00 C ATOM 167 CD2 LEU A 14 10.288 -8.086 2.482 1.00 0.00 C ATOM 0 H LEU A 14 14.742 -9.104 3.950 1.00 0.00 H new ATOM 0 HA LEU A 14 12.302 -9.627 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.492 -7.720 4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.489 -6.918 2.951 1.00 0.00 H new ATOM 0 HG LEU A 14 11.124 -6.179 2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.813 -6.310 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.501 -5.949 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.046 -7.590 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.403 -7.671 1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.580 -9.005 1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.063 -8.304 3.526 1.00 0.00 H new ATOM 179 N ASN A 15 13.890 -9.810 0.402 1.00 0.00 N ATOM 180 CA ASN A 15 14.605 -9.759 -0.868 1.00 0.00 C ATOM 181 C ASN A 15 14.003 -8.703 -1.790 1.00 0.00 C ATOM 182 O ASN A 15 14.723 -8.011 -2.509 1.00 0.00 O ATOM 183 CB ASN A 15 14.570 -11.128 -1.552 1.00 0.00 C ATOM 184 CG ASN A 15 15.578 -12.095 -0.962 1.00 0.00 C ATOM 185 OD1 ASN A 15 16.638 -12.333 -1.540 1.00 0.00 O ATOM 186 ND2 ASN A 15 15.251 -12.657 0.196 1.00 0.00 N ATOM 0 H ASN A 15 13.342 -10.658 0.544 1.00 0.00 H new ATOM 0 HA ASN A 15 15.641 -9.488 -0.662 1.00 0.00 H new ATOM 0 HB2 ASN A 15 13.569 -11.551 -1.462 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.769 -11.004 -2.617 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.890 -13.315 0.642 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.361 -12.430 0.640 1.00 0.00 H new ATOM 193 N GLN A 16 12.679 -8.585 -1.761 1.00 0.00 N ATOM 194 CA GLN A 16 11.981 -7.613 -2.593 1.00 0.00 C ATOM 195 C GLN A 16 10.694 -7.146 -1.922 1.00 0.00 C ATOM 196 O GLN A 16 10.070 -7.872 -1.148 1.00 0.00 O ATOM 197 CB GLN A 16 11.666 -8.216 -3.963 1.00 0.00 C ATOM 198 CG GLN A 16 12.868 -8.276 -4.892 1.00 0.00 C ATOM 199 CD GLN A 16 12.622 -9.145 -6.110 1.00 0.00 C ATOM 200 OE1 GLN A 16 12.137 -10.270 -5.995 1.00 0.00 O ATOM 201 NE2 GLN A 16 12.956 -8.625 -7.286 1.00 0.00 N ATOM 0 H GLN A 16 12.069 -9.150 -1.170 1.00 0.00 H new ATOM 0 HA GLN A 16 12.634 -6.750 -2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.273 -9.223 -3.826 1.00 0.00 H new ATOM 0 HB3 GLN A 16 10.880 -7.629 -4.437 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.123 -7.267 -5.216 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.728 -8.661 -4.343 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.355 -7.688 -7.334 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.813 -9.163 -8.141 1.00 0.00 H new ATOM 210 N PRO A 17 10.285 -5.905 -2.224 1.00 0.00 N ATOM 211 CA PRO A 17 9.068 -5.313 -1.661 1.00 0.00 C ATOM 212 C PRO A 17 7.801 -5.967 -2.202 1.00 0.00 C ATOM 213 O PRO A 17 7.867 -6.891 -3.014 1.00 0.00 O ATOM 214 CB PRO A 17 9.145 -3.850 -2.105 1.00 0.00 C ATOM 215 CG PRO A 17 9.984 -3.872 -3.336 1.00 0.00 C ATOM 216 CD PRO A 17 10.979 -4.983 -3.139 1.00 0.00 C ATOM 0 HA PRO A 17 9.016 -5.442 -0.580 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.154 -3.445 -2.309 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.592 -3.225 -1.332 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.373 -4.048 -4.222 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.489 -2.917 -3.481 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.232 -5.468 -4.082 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.911 -4.616 -2.709 1.00 0.00 H new ATOM 224 N ILE A 18 6.650 -5.484 -1.747 1.00 0.00 N ATOM 225 CA ILE A 18 5.369 -6.021 -2.187 1.00 0.00 C ATOM 226 C ILE A 18 4.545 -4.959 -2.907 1.00 0.00 C ATOM 227 O ILE A 18 4.704 -3.764 -2.660 1.00 0.00 O ATOM 228 CB ILE A 18 4.553 -6.572 -1.003 1.00 0.00 C ATOM 229 CG1 ILE A 18 5.479 -7.229 0.022 1.00 0.00 C ATOM 230 CG2 ILE A 18 3.510 -7.565 -1.495 1.00 0.00 C ATOM 231 CD1 ILE A 18 4.775 -7.644 1.294 1.00 0.00 C ATOM 0 H ILE A 18 6.579 -4.721 -1.073 1.00 0.00 H new ATOM 0 HA ILE A 18 5.589 -6.836 -2.877 1.00 0.00 H new ATOM 0 HB ILE A 18 4.038 -5.742 -0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.943 -8.106 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.282 -6.536 0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.941 -7.946 -0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.834 -7.068 -2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.006 -8.394 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.493 -8.102 1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.334 -6.767 1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.990 -8.362 1.058 1.00 0.00 H new ATOM 243 N GLU A 19 3.664 -5.404 -3.798 1.00 0.00 N ATOM 244 CA GLU A 19 2.814 -4.490 -4.553 1.00 0.00 C ATOM 245 C GLU A 19 1.351 -4.646 -4.147 1.00 0.00 C ATOM 246 O GLU A 19 0.809 -5.752 -4.152 1.00 0.00 O ATOM 247 CB GLU A 19 2.968 -4.739 -6.055 1.00 0.00 C ATOM 248 CG GLU A 19 4.102 -3.952 -6.689 1.00 0.00 C ATOM 249 CD GLU A 19 4.245 -4.229 -8.173 1.00 0.00 C ATOM 250 OE1 GLU A 19 3.998 -5.381 -8.588 1.00 0.00 O ATOM 251 OE2 GLU A 19 4.603 -3.294 -8.920 1.00 0.00 O ATOM 0 H GLU A 19 3.520 -6.390 -4.014 1.00 0.00 H new ATOM 0 HA GLU A 19 3.129 -3.471 -4.327 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.137 -5.803 -6.223 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.034 -4.482 -6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.929 -2.887 -6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.037 -4.199 -6.185 1.00 0.00 H new ATOM 258 N VAL A 20 0.719 -3.532 -3.795 1.00 0.00 N ATOM 259 CA VAL A 20 -0.681 -3.544 -3.386 1.00 0.00 C ATOM 260 C VAL A 20 -1.451 -2.398 -4.032 1.00 0.00 C ATOM 261 O VAL A 20 -0.892 -1.335 -4.308 1.00 0.00 O ATOM 262 CB VAL A 20 -0.820 -3.443 -1.856 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.189 -4.651 -1.182 1.00 0.00 C ATOM 264 CG2 VAL A 20 -0.195 -2.152 -1.348 1.00 0.00 C ATOM 0 H VAL A 20 1.154 -2.609 -3.785 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.100 -4.494 -3.719 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.881 -3.429 -1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.297 -4.562 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.686 -5.559 -1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.869 -4.699 -1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.302 -2.097 -0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.863 -2.133 -1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.697 -1.300 -1.806 1.00 0.00 H new ATOM 274 N THR A 21 -2.740 -2.619 -4.272 1.00 0.00 N ATOM 275 CA THR A 21 -3.589 -1.606 -4.886 1.00 0.00 C ATOM 276 C THR A 21 -4.532 -0.984 -3.862 1.00 0.00 C ATOM 277 O THR A 21 -5.374 -1.671 -3.283 1.00 0.00 O ATOM 278 CB THR A 21 -4.419 -2.194 -6.042 1.00 0.00 C ATOM 279 OG1 THR A 21 -3.569 -2.919 -6.937 1.00 0.00 O ATOM 280 CG2 THR A 21 -5.143 -1.093 -6.803 1.00 0.00 C ATOM 0 H THR A 21 -3.219 -3.492 -4.050 1.00 0.00 H new ATOM 0 HA THR A 21 -2.927 -0.835 -5.280 1.00 0.00 H new ATOM 0 HB THR A 21 -5.161 -2.871 -5.619 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.118 -3.421 -7.575 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.723 -1.532 -7.615 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.812 -0.562 -6.126 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.414 -0.395 -7.214 1.00 0.00 H new ATOM 288 N ALA A 22 -4.387 0.318 -3.644 1.00 0.00 N ATOM 289 CA ALA A 22 -5.228 1.033 -2.692 1.00 0.00 C ATOM 290 C ALA A 22 -6.706 0.854 -3.023 1.00 0.00 C ATOM 291 O ALA A 22 -7.198 1.383 -4.021 1.00 0.00 O ATOM 292 CB ALA A 22 -4.865 2.510 -2.671 1.00 0.00 C ATOM 0 H ALA A 22 -3.694 0.900 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.051 0.613 -1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.501 3.031 -1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.821 2.624 -2.378 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.012 2.935 -3.664 1.00 0.00 H new ATOM 298 N LEU A 23 -7.409 0.104 -2.182 1.00 0.00 N ATOM 299 CA LEU A 23 -8.832 -0.146 -2.386 1.00 0.00 C ATOM 300 C LEU A 23 -9.634 1.146 -2.268 1.00 0.00 C ATOM 301 O LEU A 23 -10.640 1.329 -2.953 1.00 0.00 O ATOM 302 CB LEU A 23 -9.341 -1.170 -1.370 1.00 0.00 C ATOM 303 CG LEU A 23 -8.627 -2.523 -1.366 1.00 0.00 C ATOM 304 CD1 LEU A 23 -9.179 -3.414 -0.265 1.00 0.00 C ATOM 305 CD2 LEU A 23 -8.762 -3.201 -2.722 1.00 0.00 C ATOM 0 H LEU A 23 -7.017 -0.342 -1.352 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.965 -0.544 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.259 -0.735 -0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.401 -1.342 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.568 -2.353 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.659 -4.372 -0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.030 -2.933 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.244 -3.577 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.248 -4.162 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.817 -3.358 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.318 -2.569 -3.491 1.00 0.00 H new ATOM 317 N TYR A 24 -9.180 2.040 -1.396 1.00 0.00 N ATOM 318 CA TYR A 24 -9.856 3.315 -1.187 1.00 0.00 C ATOM 319 C TYR A 24 -8.845 4.443 -1.001 1.00 0.00 C ATOM 320 O TYR A 24 -7.648 4.200 -0.851 1.00 0.00 O ATOM 321 CB TYR A 24 -10.777 3.235 0.030 1.00 0.00 C ATOM 322 CG TYR A 24 -11.605 1.971 0.082 1.00 0.00 C ATOM 323 CD1 TYR A 24 -12.794 1.866 -0.629 1.00 0.00 C ATOM 324 CD2 TYR A 24 -11.197 0.881 0.841 1.00 0.00 C ATOM 325 CE1 TYR A 24 -13.554 0.713 -0.585 1.00 0.00 C ATOM 326 CE2 TYR A 24 -11.950 -0.277 0.890 1.00 0.00 C ATOM 327 CZ TYR A 24 -13.127 -0.356 0.176 1.00 0.00 C ATOM 328 OH TYR A 24 -13.880 -1.507 0.223 1.00 0.00 O ATOM 0 H TYR A 24 -8.347 1.905 -0.823 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.454 3.529 -2.073 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.174 3.302 0.936 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.445 4.097 0.027 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.130 2.700 -1.227 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.276 0.940 1.402 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.477 0.649 -1.143 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.618 -1.116 1.484 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.439 -2.163 0.802 1.00 0.00 H new ATOM 338 N SER A 25 -9.337 5.677 -1.011 1.00 0.00 N ATOM 339 CA SER A 25 -8.478 6.844 -0.846 1.00 0.00 C ATOM 340 C SER A 25 -8.043 6.998 0.608 1.00 0.00 C ATOM 341 O SER A 25 -8.601 6.364 1.505 1.00 0.00 O ATOM 342 CB SER A 25 -9.205 8.108 -1.309 1.00 0.00 C ATOM 343 OG SER A 25 -10.307 8.401 -0.468 1.00 0.00 O ATOM 0 H SER A 25 -10.326 5.895 -1.132 1.00 0.00 H new ATOM 0 HA SER A 25 -7.589 6.699 -1.459 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.512 8.949 -1.311 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.551 7.977 -2.334 1.00 0.00 H new ATOM 0 HG SER A 25 -10.753 9.214 -0.785 1.00 0.00 H new ATOM 349 N PHE A 26 -7.044 7.844 0.834 1.00 0.00 N ATOM 350 CA PHE A 26 -6.532 8.081 2.179 1.00 0.00 C ATOM 351 C PHE A 26 -5.709 9.365 2.229 1.00 0.00 C ATOM 352 O PHE A 26 -5.200 9.827 1.209 1.00 0.00 O ATOM 353 CB PHE A 26 -5.680 6.897 2.640 1.00 0.00 C ATOM 354 CG PHE A 26 -4.929 7.158 3.914 1.00 0.00 C ATOM 355 CD1 PHE A 26 -5.514 6.902 5.143 1.00 0.00 C ATOM 356 CD2 PHE A 26 -3.638 7.661 3.883 1.00 0.00 C ATOM 357 CE1 PHE A 26 -4.826 7.141 6.318 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.945 7.902 5.054 1.00 0.00 C ATOM 359 CZ PHE A 26 -3.540 7.643 6.273 1.00 0.00 C ATOM 0 H PHE A 26 -6.573 8.377 0.103 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.383 8.190 2.851 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.324 6.029 2.779 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.969 6.644 1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.520 6.511 5.184 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.168 7.867 2.933 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.293 6.936 7.270 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.939 8.293 5.016 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.001 7.833 7.189 1.00 0.00 H new ATOM 369 N GLU A 27 -5.584 9.935 3.424 1.00 0.00 N ATOM 370 CA GLU A 27 -4.824 11.166 3.607 1.00 0.00 C ATOM 371 C GLU A 27 -4.027 11.125 4.907 1.00 0.00 C ATOM 372 O GLU A 27 -4.586 11.263 5.995 1.00 0.00 O ATOM 373 CB GLU A 27 -5.762 12.375 3.608 1.00 0.00 C ATOM 374 CG GLU A 27 -6.138 12.855 2.216 1.00 0.00 C ATOM 375 CD GLU A 27 -7.334 13.787 2.224 1.00 0.00 C ATOM 376 OE1 GLU A 27 -7.141 14.996 2.470 1.00 0.00 O ATOM 377 OE2 GLU A 27 -8.462 13.308 1.985 1.00 0.00 O ATOM 0 H GLU A 27 -5.999 9.564 4.279 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.125 11.259 2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.671 12.119 4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.286 13.193 4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.286 13.367 1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.358 11.993 1.586 1.00 0.00 H new ATOM 384 N GLY A 28 -2.717 10.933 4.786 1.00 0.00 N ATOM 385 CA GLY A 28 -1.864 10.877 5.959 1.00 0.00 C ATOM 386 C GLY A 28 -2.112 12.029 6.912 1.00 0.00 C ATOM 387 O GLY A 28 -1.663 13.149 6.672 1.00 0.00 O ATOM 0 H GLY A 28 -2.231 10.815 3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.031 9.935 6.481 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.820 10.887 5.646 1.00 0.00 H new ATOM 391 N GLN A 29 -2.831 11.753 7.996 1.00 0.00 N ATOM 392 CA GLN A 29 -3.140 12.777 8.987 1.00 0.00 C ATOM 393 C GLN A 29 -1.881 13.216 9.728 1.00 0.00 C ATOM 394 O GLN A 29 -1.734 14.385 10.082 1.00 0.00 O ATOM 395 CB GLN A 29 -4.176 12.255 9.984 1.00 0.00 C ATOM 396 CG GLN A 29 -5.526 11.951 9.355 1.00 0.00 C ATOM 397 CD GLN A 29 -6.396 13.184 9.215 1.00 0.00 C ATOM 398 OE1 GLN A 29 -6.411 14.050 10.090 1.00 0.00 O ATOM 399 NE2 GLN A 29 -7.127 13.271 8.109 1.00 0.00 N ATOM 0 H GLN A 29 -3.210 10.830 8.210 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.551 13.640 8.464 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.792 11.350 10.454 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.311 12.993 10.775 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.372 11.506 8.372 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.047 11.211 9.962 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.084 12.530 7.410 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.731 14.079 7.959 1.00 0.00 H new ATOM 408 N GLN A 30 -0.976 12.270 9.958 1.00 0.00 N ATOM 409 CA GLN A 30 0.270 12.560 10.657 1.00 0.00 C ATOM 410 C GLN A 30 1.355 12.996 9.678 1.00 0.00 C ATOM 411 O GLN A 30 1.303 12.700 8.484 1.00 0.00 O ATOM 412 CB GLN A 30 0.737 11.332 11.441 1.00 0.00 C ATOM 413 CG GLN A 30 0.200 11.276 12.862 1.00 0.00 C ATOM 414 CD GLN A 30 0.080 9.858 13.385 1.00 0.00 C ATOM 415 OE1 GLN A 30 1.031 9.079 13.324 1.00 0.00 O ATOM 416 NE2 GLN A 30 -1.093 9.516 13.905 1.00 0.00 N ATOM 0 H GLN A 30 -1.082 11.297 9.671 1.00 0.00 H new ATOM 0 HA GLN A 30 0.085 13.378 11.353 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.427 10.432 10.909 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.827 11.324 11.473 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.858 11.847 13.518 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.778 11.756 12.896 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.855 10.194 13.935 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.232 8.575 14.274 1.00 0.00 H new ATOM 425 N PRO A 31 2.362 13.717 10.193 1.00 0.00 N ATOM 426 CA PRO A 31 3.479 14.209 9.381 1.00 0.00 C ATOM 427 C PRO A 31 4.395 13.084 8.912 1.00 0.00 C ATOM 428 O PRO A 31 5.397 13.325 8.241 1.00 0.00 O ATOM 429 CB PRO A 31 4.227 15.144 10.336 1.00 0.00 C ATOM 430 CG PRO A 31 3.891 14.642 11.697 1.00 0.00 C ATOM 431 CD PRO A 31 2.489 14.107 11.608 1.00 0.00 C ATOM 0 HA PRO A 31 3.135 14.695 8.468 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.302 15.115 10.157 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.910 16.179 10.206 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.587 13.863 12.008 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.957 15.441 12.435 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.340 13.257 12.274 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.753 14.862 11.885 1.00 0.00 H new ATOM 439 N GLY A 32 4.042 11.852 9.269 1.00 0.00 N ATOM 440 CA GLY A 32 4.843 10.708 8.874 1.00 0.00 C ATOM 441 C GLY A 32 4.022 9.634 8.190 1.00 0.00 C ATOM 442 O GLY A 32 4.394 8.460 8.196 1.00 0.00 O ATOM 0 H GLY A 32 3.217 11.626 9.824 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.636 11.038 8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.327 10.286 9.755 1.00 0.00 H new ATOM 446 N ASP A 33 2.901 10.034 7.600 1.00 0.00 N ATOM 447 CA ASP A 33 2.024 9.097 6.908 1.00 0.00 C ATOM 448 C ASP A 33 2.231 9.171 5.399 1.00 0.00 C ATOM 449 O ASP A 33 3.095 9.904 4.915 1.00 0.00 O ATOM 450 CB ASP A 33 0.562 9.387 7.250 1.00 0.00 C ATOM 451 CG ASP A 33 0.174 8.871 8.622 1.00 0.00 C ATOM 452 OD1 ASP A 33 1.067 8.761 9.487 1.00 0.00 O ATOM 453 OD2 ASP A 33 -1.022 8.576 8.829 1.00 0.00 O ATOM 0 H ASP A 33 2.578 11.001 7.587 1.00 0.00 H new ATOM 0 HA ASP A 33 2.274 8.090 7.241 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.388 10.462 7.207 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.081 8.930 6.498 1.00 0.00 H new ATOM 458 N LEU A 34 1.435 8.407 4.659 1.00 0.00 N ATOM 459 CA LEU A 34 1.531 8.385 3.204 1.00 0.00 C ATOM 460 C LEU A 34 0.216 8.820 2.564 1.00 0.00 C ATOM 461 O LEU A 34 -0.859 8.595 3.118 1.00 0.00 O ATOM 462 CB LEU A 34 1.908 6.984 2.719 1.00 0.00 C ATOM 463 CG LEU A 34 1.874 6.766 1.206 1.00 0.00 C ATOM 464 CD1 LEU A 34 2.998 7.535 0.530 1.00 0.00 C ATOM 465 CD2 LEU A 34 1.968 5.283 0.879 1.00 0.00 C ATOM 0 H LEU A 34 0.716 7.794 5.043 1.00 0.00 H new ATOM 0 HA LEU A 34 2.309 9.088 2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.912 6.755 3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.233 6.266 3.185 1.00 0.00 H new ATOM 0 HG LEU A 34 0.924 7.142 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.957 7.367 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.886 8.599 0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.958 7.190 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.942 5.146 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.902 4.882 1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.127 4.757 1.331 1.00 0.00 H new ATOM 477 N ASN A 35 0.311 9.443 1.394 1.00 0.00 N ATOM 478 CA ASN A 35 -0.872 9.908 0.678 1.00 0.00 C ATOM 479 C ASN A 35 -1.067 9.124 -0.616 1.00 0.00 C ATOM 480 O ASN A 35 -0.212 9.143 -1.501 1.00 0.00 O ATOM 481 CB ASN A 35 -0.752 11.402 0.369 1.00 0.00 C ATOM 482 CG ASN A 35 -0.401 12.219 1.598 1.00 0.00 C ATOM 483 OD1 ASN A 35 0.704 12.749 1.709 1.00 0.00 O ATOM 484 ND2 ASN A 35 -1.344 12.325 2.527 1.00 0.00 N ATOM 0 H ASN A 35 1.194 9.638 0.922 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.740 9.744 1.316 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.011 11.552 -0.394 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.693 11.761 -0.046 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.166 12.863 3.375 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.246 11.868 2.392 1.00 0.00 H new ATOM 491 N PHE A 36 -2.200 8.436 -0.720 1.00 0.00 N ATOM 492 CA PHE A 36 -2.508 7.645 -1.905 1.00 0.00 C ATOM 493 C PHE A 36 -3.984 7.768 -2.272 1.00 0.00 C ATOM 494 O PHE A 36 -4.754 8.426 -1.574 1.00 0.00 O ATOM 495 CB PHE A 36 -2.149 6.176 -1.672 1.00 0.00 C ATOM 496 CG PHE A 36 -2.864 5.563 -0.502 1.00 0.00 C ATOM 497 CD1 PHE A 36 -4.114 4.986 -0.662 1.00 0.00 C ATOM 498 CD2 PHE A 36 -2.287 5.563 0.757 1.00 0.00 C ATOM 499 CE1 PHE A 36 -4.775 4.421 0.412 1.00 0.00 C ATOM 500 CE2 PHE A 36 -2.942 4.999 1.835 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.188 4.428 1.662 1.00 0.00 C ATOM 0 H PHE A 36 -2.920 8.411 0.002 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.912 8.030 -2.733 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.384 5.606 -2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.074 6.094 -1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.577 4.978 -1.638 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.314 6.009 0.898 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.749 3.975 0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.481 5.005 2.811 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.702 3.988 2.503 1.00 0.00 H new ATOM 511 N GLN A 37 -4.370 7.129 -3.372 1.00 0.00 N ATOM 512 CA GLN A 37 -5.753 7.167 -3.832 1.00 0.00 C ATOM 513 C GLN A 37 -6.212 5.787 -4.290 1.00 0.00 C ATOM 514 O GLN A 37 -5.402 4.957 -4.701 1.00 0.00 O ATOM 515 CB GLN A 37 -5.905 8.174 -4.974 1.00 0.00 C ATOM 516 CG GLN A 37 -5.648 9.612 -4.555 1.00 0.00 C ATOM 517 CD GLN A 37 -6.214 10.617 -5.539 1.00 0.00 C ATOM 518 OE1 GLN A 37 -5.553 10.998 -6.505 1.00 0.00 O ATOM 519 NE2 GLN A 37 -7.446 11.051 -5.298 1.00 0.00 N ATOM 0 H GLN A 37 -3.745 6.579 -3.961 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.379 7.479 -2.996 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.215 7.909 -5.775 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.913 8.098 -5.383 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.088 9.784 -3.573 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.574 9.771 -4.456 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.958 10.708 -4.485 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.881 11.727 -5.926 1.00 0.00 H new ATOM 528 N ALA A 38 -7.518 5.549 -4.216 1.00 0.00 N ATOM 529 CA ALA A 38 -8.085 4.270 -4.625 1.00 0.00 C ATOM 530 C ALA A 38 -7.578 3.860 -6.004 1.00 0.00 C ATOM 531 O ALA A 38 -8.012 4.399 -7.021 1.00 0.00 O ATOM 532 CB ALA A 38 -9.605 4.341 -4.619 1.00 0.00 C ATOM 0 H ALA A 38 -8.202 6.225 -3.877 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.764 3.513 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.015 3.379 -4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.954 4.580 -3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.936 5.115 -5.312 1.00 0.00 H new ATOM 538 N GLY A 39 -6.657 2.902 -6.030 1.00 0.00 N ATOM 539 CA GLY A 39 -6.105 2.437 -7.289 1.00 0.00 C ATOM 540 C GLY A 39 -4.599 2.589 -7.353 1.00 0.00 C ATOM 541 O GLY A 39 -3.914 1.793 -7.996 1.00 0.00 O ATOM 0 H GLY A 39 -6.283 2.439 -5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.368 1.389 -7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.558 2.994 -8.109 1.00 0.00 H new ATOM 545 N ASP A 40 -4.080 3.616 -6.688 1.00 0.00 N ATOM 546 CA ASP A 40 -2.645 3.871 -6.673 1.00 0.00 C ATOM 547 C ASP A 40 -1.897 2.729 -5.992 1.00 0.00 C ATOM 548 O ASP A 40 -2.220 2.346 -4.868 1.00 0.00 O ATOM 549 CB ASP A 40 -2.347 5.190 -5.959 1.00 0.00 C ATOM 550 CG ASP A 40 -2.408 6.382 -6.894 1.00 0.00 C ATOM 551 OD1 ASP A 40 -1.368 6.718 -7.497 1.00 0.00 O ATOM 552 OD2 ASP A 40 -3.498 6.978 -7.023 1.00 0.00 O ATOM 0 H ASP A 40 -4.633 4.285 -6.152 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.303 3.941 -7.706 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.062 5.331 -5.149 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.357 5.138 -5.505 1.00 0.00 H new ATOM 557 N ARG A 41 -0.897 2.189 -6.682 1.00 0.00 N ATOM 558 CA ARG A 41 -0.105 1.089 -6.144 1.00 0.00 C ATOM 559 C ARG A 41 0.914 1.598 -5.130 1.00 0.00 C ATOM 560 O ARG A 41 1.555 2.628 -5.343 1.00 0.00 O ATOM 561 CB ARG A 41 0.611 0.348 -7.275 1.00 0.00 C ATOM 562 CG ARG A 41 -0.322 -0.469 -8.154 1.00 0.00 C ATOM 563 CD ARG A 41 -0.570 -1.851 -7.570 1.00 0.00 C ATOM 564 NE ARG A 41 -0.825 -2.846 -8.608 1.00 0.00 N ATOM 565 CZ ARG A 41 -1.921 -2.861 -9.359 1.00 0.00 C ATOM 566 NH1 ARG A 41 -2.858 -1.939 -9.187 1.00 0.00 N ATOM 567 NH2 ARG A 41 -2.081 -3.800 -10.283 1.00 0.00 N ATOM 0 H ARG A 41 -0.616 2.495 -7.614 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.782 0.400 -5.638 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.139 1.072 -7.895 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.364 -0.313 -6.846 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.271 0.056 -8.265 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.108 -0.566 -9.151 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.295 -2.156 -6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.421 -1.810 -6.890 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.123 -3.569 -8.765 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.738 -1.216 -8.477 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.699 -1.952 -9.765 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.362 -4.511 -10.417 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.923 -3.811 -10.859 1.00 0.00 H new ATOM 581 N ILE A 42 1.058 0.871 -4.027 1.00 0.00 N ATOM 582 CA ILE A 42 2.000 1.249 -2.981 1.00 0.00 C ATOM 583 C ILE A 42 3.062 0.172 -2.782 1.00 0.00 C ATOM 584 O ILE A 42 2.750 -0.965 -2.428 1.00 0.00 O ATOM 585 CB ILE A 42 1.282 1.500 -1.642 1.00 0.00 C ATOM 586 CG1 ILE A 42 0.259 2.628 -1.790 1.00 0.00 C ATOM 587 CG2 ILE A 42 2.292 1.834 -0.554 1.00 0.00 C ATOM 588 CD1 ILE A 42 -0.924 2.497 -0.856 1.00 0.00 C ATOM 0 H ILE A 42 0.534 0.017 -3.835 1.00 0.00 H new ATOM 0 HA ILE A 42 2.479 2.172 -3.306 1.00 0.00 H new ATOM 0 HB ILE A 42 0.754 0.591 -1.354 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.753 3.582 -1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.101 2.649 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.769 2.009 0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.986 1.002 -0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.845 2.731 -0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.608 3.330 -1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.442 1.559 -1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.575 2.507 0.177 1.00 0.00 H new ATOM 600 N THR A 43 4.319 0.539 -3.010 1.00 0.00 N ATOM 601 CA THR A 43 5.428 -0.394 -2.855 1.00 0.00 C ATOM 602 C THR A 43 5.728 -0.652 -1.383 1.00 0.00 C ATOM 603 O THR A 43 6.469 0.099 -0.749 1.00 0.00 O ATOM 604 CB THR A 43 6.703 0.129 -3.543 1.00 0.00 C ATOM 605 OG1 THR A 43 6.476 0.275 -4.949 1.00 0.00 O ATOM 606 CG2 THR A 43 7.871 -0.816 -3.308 1.00 0.00 C ATOM 0 H THR A 43 4.595 1.476 -3.303 1.00 0.00 H new ATOM 0 HA THR A 43 5.124 -1.327 -3.330 1.00 0.00 H new ATOM 0 HB THR A 43 6.950 1.100 -3.113 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.291 0.610 -5.379 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.760 -0.426 -3.803 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.060 -0.902 -2.238 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.631 -1.799 -3.714 1.00 0.00 H new ATOM 614 N VAL A 44 5.148 -1.720 -0.843 1.00 0.00 N ATOM 615 CA VAL A 44 5.355 -2.078 0.554 1.00 0.00 C ATOM 616 C VAL A 44 6.821 -2.388 0.831 1.00 0.00 C ATOM 617 O VAL A 44 7.383 -3.329 0.270 1.00 0.00 O ATOM 618 CB VAL A 44 4.499 -3.295 0.955 1.00 0.00 C ATOM 619 CG1 VAL A 44 4.690 -3.621 2.428 1.00 0.00 C ATOM 620 CG2 VAL A 44 3.033 -3.041 0.642 1.00 0.00 C ATOM 0 H VAL A 44 4.531 -2.352 -1.353 1.00 0.00 H new ATOM 0 HA VAL A 44 5.050 -1.217 1.149 1.00 0.00 H new ATOM 0 HB VAL A 44 4.827 -4.156 0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.078 -4.483 2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.739 -3.849 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.391 -2.764 3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.443 -3.911 0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.689 -2.168 1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.915 -2.862 -0.427 1.00 0.00 H new ATOM 630 N ILE A 45 7.436 -1.591 1.699 1.00 0.00 N ATOM 631 CA ILE A 45 8.837 -1.782 2.051 1.00 0.00 C ATOM 632 C ILE A 45 8.975 -2.456 3.412 1.00 0.00 C ATOM 633 O ILE A 45 9.849 -3.300 3.612 1.00 0.00 O ATOM 634 CB ILE A 45 9.599 -0.444 2.074 1.00 0.00 C ATOM 635 CG1 ILE A 45 8.717 0.660 2.659 1.00 0.00 C ATOM 636 CG2 ILE A 45 10.061 -0.073 0.672 1.00 0.00 C ATOM 637 CD1 ILE A 45 9.434 1.982 2.827 1.00 0.00 C ATOM 0 H ILE A 45 6.986 -0.807 2.171 1.00 0.00 H new ATOM 0 HA ILE A 45 9.270 -2.424 1.284 1.00 0.00 H new ATOM 0 HB ILE A 45 10.479 -0.555 2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.853 0.805 2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.338 0.336 3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.598 0.875 0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.721 -0.851 0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.195 0.023 0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.748 2.718 3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.282 1.853 3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.789 2.329 1.857 1.00 0.00 H new ATOM 649 N SER A 46 8.106 -2.079 4.344 1.00 0.00 N ATOM 650 CA SER A 46 8.132 -2.646 5.687 1.00 0.00 C ATOM 651 C SER A 46 6.716 -2.862 6.213 1.00 0.00 C ATOM 652 O SER A 46 6.017 -1.909 6.558 1.00 0.00 O ATOM 653 CB SER A 46 8.906 -1.728 6.636 1.00 0.00 C ATOM 654 OG SER A 46 9.366 -2.441 7.771 1.00 0.00 O ATOM 0 H SER A 46 7.375 -1.383 4.194 1.00 0.00 H new ATOM 0 HA SER A 46 8.634 -3.612 5.637 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.754 -1.288 6.111 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.266 -0.905 6.954 1.00 0.00 H new ATOM 0 HG SER A 46 9.859 -1.834 8.361 1.00 0.00 H new ATOM 660 N LYS A 47 6.299 -4.122 6.270 1.00 0.00 N ATOM 661 CA LYS A 47 4.967 -4.467 6.755 1.00 0.00 C ATOM 662 C LYS A 47 5.026 -5.654 7.710 1.00 0.00 C ATOM 663 O LYS A 47 6.012 -6.392 7.741 1.00 0.00 O ATOM 664 CB LYS A 47 4.042 -4.790 5.579 1.00 0.00 C ATOM 665 CG LYS A 47 4.349 -6.119 4.912 1.00 0.00 C ATOM 666 CD LYS A 47 3.568 -7.256 5.549 1.00 0.00 C ATOM 667 CE LYS A 47 3.266 -8.358 4.545 1.00 0.00 C ATOM 668 NZ LYS A 47 3.174 -9.693 5.197 1.00 0.00 N ATOM 0 H LYS A 47 6.864 -4.922 5.986 1.00 0.00 H new ATOM 0 HA LYS A 47 4.571 -3.608 7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.010 -4.799 5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.119 -3.995 4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.106 -6.059 3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.417 -6.325 4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.138 -7.668 6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.635 -6.872 5.960 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.328 -8.138 4.035 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.046 -8.379 3.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.967 -10.416 4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.077 -9.915 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.413 -9.681 5.906 1.00 0.00 H new ATOM 682 N THR A 48 3.964 -5.835 8.489 1.00 0.00 N ATOM 683 CA THR A 48 3.895 -6.933 9.445 1.00 0.00 C ATOM 684 C THR A 48 2.906 -7.998 8.988 1.00 0.00 C ATOM 685 O THR A 48 2.181 -7.808 8.011 1.00 0.00 O ATOM 686 CB THR A 48 3.486 -6.434 10.844 1.00 0.00 C ATOM 687 OG1 THR A 48 2.151 -5.918 10.809 1.00 0.00 O ATOM 688 CG2 THR A 48 4.439 -5.356 11.335 1.00 0.00 C ATOM 0 H THR A 48 3.139 -5.235 8.476 1.00 0.00 H new ATOM 0 HA THR A 48 4.893 -7.368 9.500 1.00 0.00 H new ATOM 0 HB THR A 48 3.531 -7.277 11.533 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.898 -5.604 11.702 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.129 -5.020 12.325 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.450 -5.761 11.389 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.422 -4.513 10.644 1.00 0.00 H new ATOM 696 N ASP A 49 2.879 -9.119 9.701 1.00 0.00 N ATOM 697 CA ASP A 49 1.976 -10.215 9.369 1.00 0.00 C ATOM 698 C ASP A 49 0.521 -9.766 9.456 1.00 0.00 C ATOM 699 O ASP A 49 -0.279 -10.042 8.563 1.00 0.00 O ATOM 700 CB ASP A 49 2.214 -11.401 10.304 1.00 0.00 C ATOM 701 CG ASP A 49 1.031 -12.347 10.353 1.00 0.00 C ATOM 702 OD1 ASP A 49 0.943 -13.233 9.477 1.00 0.00 O ATOM 703 OD2 ASP A 49 0.193 -12.202 11.267 1.00 0.00 O ATOM 0 H ASP A 49 3.472 -9.292 10.513 1.00 0.00 H new ATOM 0 HA ASP A 49 2.181 -10.524 8.344 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.098 -11.947 9.975 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.422 -11.032 11.308 1.00 0.00 H new ATOM 708 N SER A 50 0.185 -9.073 10.540 1.00 0.00 N ATOM 709 CA SER A 50 -1.175 -8.590 10.747 1.00 0.00 C ATOM 710 C SER A 50 -1.566 -7.588 9.666 1.00 0.00 C ATOM 711 O SER A 50 -0.733 -6.819 9.185 1.00 0.00 O ATOM 712 CB SER A 50 -1.304 -7.944 12.128 1.00 0.00 C ATOM 713 OG SER A 50 -1.373 -8.927 13.147 1.00 0.00 O ATOM 0 H SER A 50 0.836 -8.834 11.288 1.00 0.00 H new ATOM 0 HA SER A 50 -1.851 -9.443 10.688 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.451 -7.289 12.308 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.197 -7.320 12.159 1.00 0.00 H new ATOM 0 HG SER A 50 -1.453 -8.488 14.020 1.00 0.00 H new ATOM 719 N HIS A 51 -2.840 -7.603 9.287 1.00 0.00 N ATOM 720 CA HIS A 51 -3.344 -6.696 8.262 1.00 0.00 C ATOM 721 C HIS A 51 -3.862 -5.404 8.887 1.00 0.00 C ATOM 722 O HIS A 51 -3.420 -4.310 8.533 1.00 0.00 O ATOM 723 CB HIS A 51 -4.457 -7.368 7.458 1.00 0.00 C ATOM 724 CG HIS A 51 -5.529 -7.975 8.309 1.00 0.00 C ATOM 725 ND1 HIS A 51 -5.390 -9.193 8.941 1.00 0.00 N ATOM 726 CD2 HIS A 51 -6.763 -7.523 8.634 1.00 0.00 C ATOM 727 CE1 HIS A 51 -6.492 -9.465 9.616 1.00 0.00 C ATOM 728 NE2 HIS A 51 -7.341 -8.467 9.446 1.00 0.00 N ATOM 0 H HIS A 51 -3.542 -8.233 9.674 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.520 -6.451 7.592 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.907 -6.632 6.791 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.021 -8.144 6.829 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.209 -6.593 8.314 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.669 -10.352 10.206 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.275 -8.408 9.852 1.00 0.00 H new ATOM 737 N PHE A 52 -4.801 -5.537 9.817 1.00 0.00 N ATOM 738 CA PHE A 52 -5.380 -4.380 10.491 1.00 0.00 C ATOM 739 C PHE A 52 -4.307 -3.344 10.811 1.00 0.00 C ATOM 740 O PHE A 52 -4.513 -2.144 10.628 1.00 0.00 O ATOM 741 CB PHE A 52 -6.088 -4.813 11.776 1.00 0.00 C ATOM 742 CG PHE A 52 -7.182 -3.877 12.202 1.00 0.00 C ATOM 743 CD1 PHE A 52 -6.905 -2.551 12.492 1.00 0.00 C ATOM 744 CD2 PHE A 52 -8.490 -4.324 12.313 1.00 0.00 C ATOM 745 CE1 PHE A 52 -7.910 -1.688 12.885 1.00 0.00 C ATOM 746 CE2 PHE A 52 -9.499 -3.465 12.705 1.00 0.00 C ATOM 747 CZ PHE A 52 -9.209 -2.145 12.990 1.00 0.00 C ATOM 0 H PHE A 52 -5.178 -6.435 10.122 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.109 -3.926 9.819 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.508 -5.808 11.632 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.354 -4.890 12.578 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.891 -2.187 12.410 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.723 -5.355 12.091 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.680 -0.657 13.110 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.514 -3.826 12.788 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.997 -1.472 13.294 1.00 0.00 H new ATOM 757 N ASP A 53 -3.162 -3.816 11.291 1.00 0.00 N ATOM 758 CA ASP A 53 -2.056 -2.932 11.637 1.00 0.00 C ATOM 759 C ASP A 53 -1.634 -2.092 10.435 1.00 0.00 C ATOM 760 O ASP A 53 -1.918 -2.444 9.290 1.00 0.00 O ATOM 761 CB ASP A 53 -0.866 -3.745 12.149 1.00 0.00 C ATOM 762 CG ASP A 53 -1.114 -4.332 13.524 1.00 0.00 C ATOM 763 OD1 ASP A 53 -2.284 -4.640 13.836 1.00 0.00 O ATOM 764 OD2 ASP A 53 -0.139 -4.486 14.289 1.00 0.00 O ATOM 0 H ASP A 53 -2.976 -4.806 11.449 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.394 -2.260 12.426 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.651 -4.550 11.447 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.018 -3.108 12.183 1.00 0.00 H new ATOM 769 N TRP A 54 -0.958 -0.981 10.704 1.00 0.00 N ATOM 770 CA TRP A 54 -0.499 -0.090 9.644 1.00 0.00 C ATOM 771 C TRP A 54 0.847 -0.548 9.094 1.00 0.00 C ATOM 772 O TRP A 54 1.702 -1.027 9.839 1.00 0.00 O ATOM 773 CB TRP A 54 -0.391 1.343 10.165 1.00 0.00 C ATOM 774 CG TRP A 54 -1.721 1.998 10.385 1.00 0.00 C ATOM 775 CD1 TRP A 54 -2.820 1.443 10.976 1.00 0.00 C ATOM 776 CD2 TRP A 54 -2.093 3.330 10.014 1.00 0.00 C ATOM 777 NE1 TRP A 54 -3.852 2.350 10.995 1.00 0.00 N ATOM 778 CE2 TRP A 54 -3.431 3.515 10.412 1.00 0.00 C ATOM 779 CE3 TRP A 54 -1.424 4.385 9.387 1.00 0.00 C ATOM 780 CZ2 TRP A 54 -4.111 4.711 10.200 1.00 0.00 C ATOM 781 CZ3 TRP A 54 -2.101 5.571 9.177 1.00 0.00 C ATOM 782 CH2 TRP A 54 -3.433 5.727 9.584 1.00 0.00 C ATOM 0 H TRP A 54 -0.715 -0.675 11.646 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.230 -0.120 8.836 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.164 1.340 11.103 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.185 1.937 9.456 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.871 0.439 11.370 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.781 2.182 11.381 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.397 4.275 9.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.138 4.833 10.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.595 6.392 8.691 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.934 6.667 9.408 1.00 0.00 H new ATOM 793 N TRP A 55 1.029 -0.396 7.787 1.00 0.00 N ATOM 794 CA TRP A 55 2.274 -0.794 7.138 1.00 0.00 C ATOM 795 C TRP A 55 2.989 0.415 6.546 1.00 0.00 C ATOM 796 O TRP A 55 2.439 1.514 6.506 1.00 0.00 O ATOM 797 CB TRP A 55 1.994 -1.824 6.042 1.00 0.00 C ATOM 798 CG TRP A 55 1.416 -3.105 6.564 1.00 0.00 C ATOM 799 CD1 TRP A 55 1.436 -3.546 7.856 1.00 0.00 C ATOM 800 CD2 TRP A 55 0.734 -4.109 5.805 1.00 0.00 C ATOM 801 NE1 TRP A 55 0.807 -4.765 7.946 1.00 0.00 N ATOM 802 CE2 TRP A 55 0.367 -5.131 6.702 1.00 0.00 C ATOM 803 CE3 TRP A 55 0.396 -4.243 4.456 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -0.319 -6.271 6.291 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -0.285 -5.375 4.050 1.00 0.00 C ATOM 806 CH2 TRP A 55 -0.638 -6.376 4.964 1.00 0.00 C ATOM 0 H TRP A 55 0.332 -0.001 7.156 1.00 0.00 H new ATOM 0 HA TRP A 55 2.921 -1.242 7.892 1.00 0.00 H new ATOM 0 HB2 TRP A 55 1.306 -1.393 5.315 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.921 -2.041 5.512 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.880 -3.015 8.685 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.687 -5.309 8.801 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.662 -3.476 3.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.590 -7.045 6.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.550 -5.490 3.009 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -1.172 -7.247 4.615 1.00 0.00 H new ATOM 817 N GLU A 56 4.219 0.203 6.087 1.00 0.00 N ATOM 818 CA GLU A 56 5.009 1.278 5.498 1.00 0.00 C ATOM 819 C GLU A 56 5.348 0.969 4.043 1.00 0.00 C ATOM 820 O GLU A 56 6.091 0.032 3.752 1.00 0.00 O ATOM 821 CB GLU A 56 6.296 1.493 6.298 1.00 0.00 C ATOM 822 CG GLU A 56 7.055 2.749 5.904 1.00 0.00 C ATOM 823 CD GLU A 56 8.329 2.936 6.705 1.00 0.00 C ATOM 824 OE1 GLU A 56 8.317 2.635 7.917 1.00 0.00 O ATOM 825 OE2 GLU A 56 9.338 3.382 6.120 1.00 0.00 O ATOM 0 H GLU A 56 4.689 -0.702 6.112 1.00 0.00 H new ATOM 0 HA GLU A 56 4.414 2.191 5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.050 1.545 7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.946 0.629 6.163 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.301 2.703 4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.411 3.617 6.044 1.00 0.00 H new ATOM 832 N GLY A 57 4.796 1.763 3.131 1.00 0.00 N ATOM 833 CA GLY A 57 5.050 1.559 1.717 1.00 0.00 C ATOM 834 C GLY A 57 5.566 2.810 1.033 1.00 0.00 C ATOM 835 O GLY A 57 5.763 3.841 1.676 1.00 0.00 O ATOM 0 H GLY A 57 4.177 2.545 3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.776 0.756 1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.131 1.235 1.229 1.00 0.00 H new ATOM 839 N LYS A 58 5.788 2.719 -0.274 1.00 0.00 N ATOM 840 CA LYS A 58 6.285 3.852 -1.046 1.00 0.00 C ATOM 841 C LYS A 58 5.407 4.104 -2.267 1.00 0.00 C ATOM 842 O LYS A 58 4.986 3.167 -2.947 1.00 0.00 O ATOM 843 CB LYS A 58 7.729 3.601 -1.486 1.00 0.00 C ATOM 844 CG LYS A 58 8.762 4.038 -0.462 1.00 0.00 C ATOM 845 CD LYS A 58 10.063 3.268 -0.618 1.00 0.00 C ATOM 846 CE LYS A 58 10.988 3.936 -1.624 1.00 0.00 C ATOM 847 NZ LYS A 58 12.392 3.461 -1.486 1.00 0.00 N ATOM 0 H LYS A 58 5.632 1.872 -0.821 1.00 0.00 H new ATOM 0 HA LYS A 58 6.254 4.736 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.858 2.538 -1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.912 4.129 -2.422 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.955 5.105 -0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.367 3.886 0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.564 3.198 0.348 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.848 2.249 -0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.633 3.733 -2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.955 5.017 -1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.991 3.939 -2.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.739 3.678 -0.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.428 2.434 -1.643 1.00 0.00 H new ATOM 861 N LEU A 59 5.135 5.375 -2.542 1.00 0.00 N ATOM 862 CA LEU A 59 4.308 5.752 -3.683 1.00 0.00 C ATOM 863 C LEU A 59 4.813 7.043 -4.320 1.00 0.00 C ATOM 864 O LEU A 59 5.010 8.047 -3.636 1.00 0.00 O ATOM 865 CB LEU A 59 2.851 5.920 -3.249 1.00 0.00 C ATOM 866 CG LEU A 59 1.961 6.737 -4.186 1.00 0.00 C ATOM 867 CD1 LEU A 59 1.606 5.929 -5.424 1.00 0.00 C ATOM 868 CD2 LEU A 59 0.701 7.191 -3.464 1.00 0.00 C ATOM 0 H LEU A 59 5.475 6.162 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 59 4.370 4.955 -4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.411 4.930 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.838 6.391 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 59 2.514 7.622 -4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.972 6.527 -6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.518 5.655 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.072 5.026 -5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.080 7.771 -4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.145 6.319 -3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.974 7.809 -2.608 1.00 0.00 H new ATOM 880 N ARG A 60 5.018 7.008 -5.632 1.00 0.00 N ATOM 881 CA ARG A 60 5.499 8.176 -6.361 1.00 0.00 C ATOM 882 C ARG A 60 6.717 8.784 -5.671 1.00 0.00 C ATOM 883 O ARG A 60 6.924 9.996 -5.710 1.00 0.00 O ATOM 884 CB ARG A 60 4.390 9.223 -6.478 1.00 0.00 C ATOM 885 CG ARG A 60 3.125 8.700 -7.139 1.00 0.00 C ATOM 886 CD ARG A 60 3.436 7.970 -8.436 1.00 0.00 C ATOM 887 NE ARG A 60 4.163 8.815 -9.379 1.00 0.00 N ATOM 888 CZ ARG A 60 4.198 8.593 -10.688 1.00 0.00 C ATOM 889 NH1 ARG A 60 3.552 7.558 -11.207 1.00 0.00 N ATOM 890 NH2 ARG A 60 4.882 9.407 -11.482 1.00 0.00 N ATOM 0 H ARG A 60 4.859 6.184 -6.212 1.00 0.00 H new ATOM 0 HA ARG A 60 5.792 7.854 -7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.144 9.592 -5.482 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.763 10.073 -7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.608 8.026 -6.456 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.448 9.530 -7.341 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.026 7.079 -8.218 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.506 7.633 -8.894 1.00 0.00 H new ATOM 0 HE ARG A 60 4.672 9.620 -9.013 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.026 6.929 -10.600 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.581 7.391 -12.213 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.381 10.204 -11.087 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.908 9.236 -12.487 1.00 0.00 H new ATOM 904 N GLY A 61 7.520 7.932 -5.040 1.00 0.00 N ATOM 905 CA GLY A 61 8.706 8.404 -4.350 1.00 0.00 C ATOM 906 C GLY A 61 8.437 8.738 -2.896 1.00 0.00 C ATOM 907 O GLY A 61 9.344 8.694 -2.065 1.00 0.00 O ATOM 0 H GLY A 61 7.370 6.924 -4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.483 7.642 -4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.090 9.289 -4.858 1.00 0.00 H new ATOM 911 N GLN A 62 7.188 9.073 -2.588 1.00 0.00 N ATOM 912 CA GLN A 62 6.804 9.418 -1.225 1.00 0.00 C ATOM 913 C GLN A 62 6.758 8.176 -0.342 1.00 0.00 C ATOM 914 O GLN A 62 6.453 7.078 -0.810 1.00 0.00 O ATOM 915 CB GLN A 62 5.443 10.115 -1.217 1.00 0.00 C ATOM 916 CG GLN A 62 5.416 11.408 -2.016 1.00 0.00 C ATOM 917 CD GLN A 62 4.008 11.909 -2.269 1.00 0.00 C ATOM 918 OE1 GLN A 62 3.030 11.254 -1.910 1.00 0.00 O ATOM 919 NE2 GLN A 62 3.898 13.078 -2.889 1.00 0.00 N ATOM 0 H GLN A 62 6.425 9.113 -3.264 1.00 0.00 H new ATOM 0 HA GLN A 62 7.555 10.099 -0.824 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.693 9.434 -1.619 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.160 10.329 -0.186 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.979 12.173 -1.481 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.919 11.251 -2.970 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.736 13.588 -3.169 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.975 13.466 -3.085 1.00 0.00 H new ATOM 928 N THR A 63 7.063 8.355 0.940 1.00 0.00 N ATOM 929 CA THR A 63 7.057 7.248 1.889 1.00 0.00 C ATOM 930 C THR A 63 6.270 7.605 3.144 1.00 0.00 C ATOM 931 O THR A 63 6.309 8.742 3.612 1.00 0.00 O ATOM 932 CB THR A 63 8.489 6.847 2.291 1.00 0.00 C ATOM 933 OG1 THR A 63 9.322 6.774 1.129 1.00 0.00 O ATOM 934 CG2 THR A 63 8.493 5.505 3.009 1.00 0.00 C ATOM 0 H THR A 63 7.317 9.256 1.345 1.00 0.00 H new ATOM 0 HA THR A 63 6.578 6.405 1.391 1.00 0.00 H new ATOM 0 HB THR A 63 8.879 7.606 2.969 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.231 6.520 1.393 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.515 5.242 3.283 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.881 5.572 3.909 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.086 4.738 2.350 1.00 0.00 H new ATOM 942 N GLY A 64 5.554 6.624 3.687 1.00 0.00 N ATOM 943 CA GLY A 64 4.768 6.855 4.885 1.00 0.00 C ATOM 944 C GLY A 64 3.994 5.624 5.316 1.00 0.00 C ATOM 945 O GLY A 64 3.980 4.614 4.612 1.00 0.00 O ATOM 0 H GLY A 64 5.505 5.674 3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.428 7.168 5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.072 7.675 4.707 1.00 0.00 H new ATOM 949 N ILE A 65 3.350 5.709 6.475 1.00 0.00 N ATOM 950 CA ILE A 65 2.572 4.593 6.999 1.00 0.00 C ATOM 951 C ILE A 65 1.113 4.691 6.566 1.00 0.00 C ATOM 952 O ILE A 65 0.618 5.773 6.251 1.00 0.00 O ATOM 953 CB ILE A 65 2.637 4.534 8.537 1.00 0.00 C ATOM 954 CG1 ILE A 65 2.131 5.845 9.141 1.00 0.00 C ATOM 955 CG2 ILE A 65 4.059 4.247 8.996 1.00 0.00 C ATOM 956 CD1 ILE A 65 1.610 5.698 10.554 1.00 0.00 C ATOM 0 H ILE A 65 3.351 6.538 7.069 1.00 0.00 H new ATOM 0 HA ILE A 65 3.010 3.682 6.591 1.00 0.00 H new ATOM 0 HB ILE A 65 1.994 3.725 8.883 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.941 6.575 9.135 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.337 6.244 8.509 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.089 4.208 10.085 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.386 3.290 8.590 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.722 5.037 8.643 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.268 6.667 10.918 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.779 4.993 10.564 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.407 5.328 11.199 1.00 0.00 H new ATOM 968 N PHE A 66 0.428 3.552 6.555 1.00 0.00 N ATOM 969 CA PHE A 66 -0.976 3.508 6.162 1.00 0.00 C ATOM 970 C PHE A 66 -1.611 2.179 6.560 1.00 0.00 C ATOM 971 O PHE A 66 -0.944 1.149 6.663 1.00 0.00 O ATOM 972 CB PHE A 66 -1.112 3.720 4.653 1.00 0.00 C ATOM 973 CG PHE A 66 -0.534 2.600 3.836 1.00 0.00 C ATOM 974 CD1 PHE A 66 -1.301 1.492 3.515 1.00 0.00 C ATOM 975 CD2 PHE A 66 0.777 2.655 3.391 1.00 0.00 C ATOM 976 CE1 PHE A 66 -0.772 0.460 2.763 1.00 0.00 C ATOM 977 CE2 PHE A 66 1.311 1.626 2.638 1.00 0.00 C ATOM 978 CZ PHE A 66 0.537 0.527 2.325 1.00 0.00 C ATOM 0 H PHE A 66 0.822 2.647 6.814 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.499 4.310 6.683 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.167 3.834 4.404 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.617 4.652 4.379 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.324 1.434 3.856 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.388 3.511 3.635 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.381 -0.398 2.518 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.333 1.682 2.295 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.953 -0.279 1.739 1.00 0.00 H new ATOM 988 N PRO A 67 -2.932 2.200 6.790 1.00 0.00 N ATOM 989 CA PRO A 67 -3.687 1.006 7.180 1.00 0.00 C ATOM 990 C PRO A 67 -3.802 -0.004 6.044 1.00 0.00 C ATOM 991 O PRO A 67 -4.323 0.308 4.974 1.00 0.00 O ATOM 992 CB PRO A 67 -5.067 1.561 7.544 1.00 0.00 C ATOM 993 CG PRO A 67 -5.182 2.827 6.767 1.00 0.00 C ATOM 994 CD PRO A 67 -3.791 3.392 6.686 1.00 0.00 C ATOM 0 HA PRO A 67 -3.202 0.465 7.993 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.858 0.860 7.279 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.150 1.745 8.615 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.585 2.639 5.772 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.859 3.526 7.258 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.628 3.925 5.749 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.597 4.099 7.493 1.00 0.00 H new ATOM 1002 N ALA A 68 -3.312 -1.216 6.284 1.00 0.00 N ATOM 1003 CA ALA A 68 -3.363 -2.273 5.281 1.00 0.00 C ATOM 1004 C ALA A 68 -4.801 -2.572 4.871 1.00 0.00 C ATOM 1005 O ALA A 68 -5.051 -3.081 3.779 1.00 0.00 O ATOM 1006 CB ALA A 68 -2.689 -3.532 5.806 1.00 0.00 C ATOM 0 H ALA A 68 -2.875 -1.490 7.164 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.825 -1.928 4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.735 -4.313 5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.647 -3.316 6.042 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.202 -3.871 6.706 1.00 0.00 H new ATOM 1012 N ASN A 69 -5.742 -2.254 5.754 1.00 0.00 N ATOM 1013 CA ASN A 69 -7.155 -2.490 5.483 1.00 0.00 C ATOM 1014 C ASN A 69 -7.633 -1.644 4.307 1.00 0.00 C ATOM 1015 O ASN A 69 -8.721 -1.862 3.773 1.00 0.00 O ATOM 1016 CB ASN A 69 -7.993 -2.177 6.725 1.00 0.00 C ATOM 1017 CG ASN A 69 -9.466 -2.019 6.403 1.00 0.00 C ATOM 1018 OD1 ASN A 69 -10.005 -0.913 6.434 1.00 0.00 O ATOM 1019 ND2 ASN A 69 -10.126 -3.129 6.092 1.00 0.00 N ATOM 0 H ASN A 69 -5.551 -1.832 6.663 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.279 -3.542 5.224 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.867 -2.976 7.456 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.625 -1.261 7.187 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.120 -3.085 5.867 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.639 -4.025 6.079 1.00 0.00 H new ATOM 1026 N TYR A 70 -6.812 -0.678 3.908 1.00 0.00 N ATOM 1027 CA TYR A 70 -7.151 0.202 2.796 1.00 0.00 C ATOM 1028 C TYR A 70 -6.543 -0.307 1.493 1.00 0.00 C ATOM 1029 O TYR A 70 -6.707 0.304 0.437 1.00 0.00 O ATOM 1030 CB TYR A 70 -6.665 1.624 3.078 1.00 0.00 C ATOM 1031 CG TYR A 70 -7.675 2.475 3.815 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -8.242 2.040 5.006 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -8.060 3.715 3.320 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -9.166 2.813 5.682 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -8.982 4.496 3.990 1.00 0.00 C ATOM 1036 CZ TYR A 70 -9.532 4.041 5.170 1.00 0.00 C ATOM 1037 OH TYR A 70 -10.451 4.815 5.841 1.00 0.00 O ATOM 0 H TYR A 70 -5.908 -0.485 4.338 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.236 0.210 2.690 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.747 1.576 3.664 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.415 2.108 2.134 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.955 1.081 5.411 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.631 4.074 2.396 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.599 2.458 6.606 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.270 5.458 3.592 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.598 5.649 5.348 1.00 0.00 H new ATOM 1047 N VAL A 71 -5.839 -1.432 1.576 1.00 0.00 N ATOM 1048 CA VAL A 71 -5.206 -2.026 0.404 1.00 0.00 C ATOM 1049 C VAL A 71 -5.459 -3.528 0.346 1.00 0.00 C ATOM 1050 O VAL A 71 -5.931 -4.128 1.312 1.00 0.00 O ATOM 1051 CB VAL A 71 -3.687 -1.771 0.397 1.00 0.00 C ATOM 1052 CG1 VAL A 71 -3.389 -0.309 0.691 1.00 0.00 C ATOM 1053 CG2 VAL A 71 -2.991 -2.678 1.400 1.00 0.00 C ATOM 0 H VAL A 71 -5.693 -1.950 2.442 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.650 -1.552 -0.471 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.302 -2.002 -0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.311 -0.148 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.856 0.317 -0.069 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.787 -0.047 1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.918 -2.485 1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.379 -2.480 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.176 -3.720 1.138 1.00 0.00 H new ATOM 1063 N THR A 72 -5.141 -4.132 -0.795 1.00 0.00 N ATOM 1064 CA THR A 72 -5.334 -5.565 -0.981 1.00 0.00 C ATOM 1065 C THR A 72 -4.106 -6.207 -1.616 1.00 0.00 C ATOM 1066 O THR A 72 -3.420 -5.588 -2.429 1.00 0.00 O ATOM 1067 CB THR A 72 -6.564 -5.857 -1.861 1.00 0.00 C ATOM 1068 OG1 THR A 72 -6.849 -7.260 -1.855 1.00 0.00 O ATOM 1069 CG2 THR A 72 -6.332 -5.387 -3.289 1.00 0.00 C ATOM 0 H THR A 72 -4.749 -3.651 -1.604 1.00 0.00 H new ATOM 0 HA THR A 72 -5.494 -5.993 0.009 1.00 0.00 H new ATOM 0 HB THR A 72 -7.414 -5.313 -1.450 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.633 -7.437 -2.416 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.214 -5.604 -3.891 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.145 -4.313 -3.293 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.470 -5.907 -3.708 1.00 0.00 H new ATOM 1077 N MET A 73 -3.834 -7.452 -1.239 1.00 0.00 N ATOM 1078 CA MET A 73 -2.688 -8.179 -1.774 1.00 0.00 C ATOM 1079 C MET A 73 -3.123 -9.151 -2.867 1.00 0.00 C ATOM 1080 O MET A 73 -3.466 -10.299 -2.588 1.00 0.00 O ATOM 1081 CB MET A 73 -1.971 -8.938 -0.656 1.00 0.00 C ATOM 1082 CG MET A 73 -1.040 -8.066 0.170 1.00 0.00 C ATOM 1083 SD MET A 73 -1.906 -7.158 1.466 1.00 0.00 S ATOM 1084 CE MET A 73 -2.210 -8.467 2.650 1.00 0.00 C ATOM 0 H MET A 73 -4.391 -7.978 -0.566 1.00 0.00 H new ATOM 0 HA MET A 73 -2.000 -7.454 -2.210 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.715 -9.387 0.002 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.398 -9.756 -1.093 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.269 -8.691 0.622 1.00 0.00 H new ATOM 0 HG3 MET A 73 -0.533 -7.359 -0.487 1.00 0.00 H new ATOM 0 HE1 MET A 73 -2.709 -8.055 3.527 1.00 0.00 H new ATOM 0 HE2 MET A 73 -2.844 -9.228 2.196 1.00 0.00 H new ATOM 0 HE3 MET A 73 -1.262 -8.915 2.948 1.00 0.00 H new ATOM 1094 N ASN A 74 -3.105 -8.682 -4.110 1.00 0.00 N ATOM 1095 CA ASN A 74 -3.499 -9.510 -5.245 1.00 0.00 C ATOM 1096 C ASN A 74 -2.297 -10.258 -5.815 1.00 0.00 C ATOM 1097 O ASN A 74 -1.152 -9.844 -5.633 1.00 0.00 O ATOM 1098 CB ASN A 74 -4.141 -8.648 -6.334 1.00 0.00 C ATOM 1099 CG ASN A 74 -5.182 -7.696 -5.779 1.00 0.00 C ATOM 1100 OD1 ASN A 74 -5.068 -6.479 -5.926 1.00 0.00 O ATOM 1101 ND2 ASN A 74 -6.205 -8.247 -5.135 1.00 0.00 N ATOM 0 H ASN A 74 -2.822 -7.734 -4.357 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.227 -10.241 -4.894 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.366 -8.077 -6.845 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.604 -9.295 -7.079 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.936 -7.656 -4.739 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.259 -9.261 -5.037 1.00 0.00 H new ATOM 1108 N SER A 75 -2.567 -11.361 -6.505 1.00 0.00 N ATOM 1109 CA SER A 75 -1.509 -12.169 -7.100 1.00 0.00 C ATOM 1110 C SER A 75 -2.078 -13.134 -8.135 1.00 0.00 C ATOM 1111 O SER A 75 -3.289 -13.339 -8.210 1.00 0.00 O ATOM 1112 CB SER A 75 -0.763 -12.949 -6.015 1.00 0.00 C ATOM 1113 OG SER A 75 -1.631 -13.850 -5.347 1.00 0.00 O ATOM 0 H SER A 75 -3.510 -11.716 -6.666 1.00 0.00 H new ATOM 0 HA SER A 75 -0.811 -11.498 -7.600 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.064 -13.500 -6.462 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.331 -12.254 -5.295 1.00 0.00 H new ATOM 0 HG SER A 75 -1.131 -14.338 -4.660 1.00 0.00 H new ATOM 1119 N GLY A 76 -1.194 -13.724 -8.934 1.00 0.00 N ATOM 1120 CA GLY A 76 -1.626 -14.661 -9.955 1.00 0.00 C ATOM 1121 C GLY A 76 -1.932 -13.979 -11.274 1.00 0.00 C ATOM 1122 O GLY A 76 -2.394 -12.838 -11.316 1.00 0.00 O ATOM 0 H GLY A 76 -0.187 -13.570 -8.893 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.849 -15.410 -10.108 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.514 -15.189 -9.607 1.00 0.00 H new ATOM 1126 N PRO A 77 -1.671 -14.685 -12.384 1.00 0.00 N ATOM 1127 CA PRO A 77 -1.913 -14.161 -13.731 1.00 0.00 C ATOM 1128 C PRO A 77 -3.400 -14.032 -14.045 1.00 0.00 C ATOM 1129 O PRO A 77 -4.109 -15.032 -14.160 1.00 0.00 O ATOM 1130 CB PRO A 77 -1.263 -15.206 -14.641 1.00 0.00 C ATOM 1131 CG PRO A 77 -1.283 -16.466 -13.846 1.00 0.00 C ATOM 1132 CD PRO A 77 -1.120 -16.051 -12.409 1.00 0.00 C ATOM 0 HA PRO A 77 -1.508 -13.157 -13.856 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.816 -15.318 -15.574 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.245 -14.921 -14.906 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.219 -17.005 -13.993 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.478 -17.134 -14.153 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.661 -16.715 -11.735 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.074 -16.068 -12.102 1.00 0.00 H new ATOM 1140 N SER A 78 -3.866 -12.795 -14.184 1.00 0.00 N ATOM 1141 CA SER A 78 -5.270 -12.536 -14.481 1.00 0.00 C ATOM 1142 C SER A 78 -6.172 -13.513 -13.735 1.00 0.00 C ATOM 1143 O SER A 78 -7.141 -14.030 -14.292 1.00 0.00 O ATOM 1144 CB SER A 78 -5.521 -12.639 -15.987 1.00 0.00 C ATOM 1145 OG SER A 78 -4.799 -11.646 -16.694 1.00 0.00 O ATOM 0 H SER A 78 -3.292 -11.957 -14.096 1.00 0.00 H new ATOM 0 HA SER A 78 -5.506 -11.525 -14.149 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.228 -13.627 -16.341 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.587 -12.531 -16.189 1.00 0.00 H new ATOM 0 HG SER A 78 -4.975 -11.735 -17.654 1.00 0.00 H new ATOM 1151 N SER A 79 -5.848 -13.761 -12.470 1.00 0.00 N ATOM 1152 CA SER A 79 -6.626 -14.679 -11.647 1.00 0.00 C ATOM 1153 C SER A 79 -7.907 -14.013 -11.153 1.00 0.00 C ATOM 1154 O SER A 79 -7.869 -13.121 -10.306 1.00 0.00 O ATOM 1155 CB SER A 79 -5.795 -15.158 -10.455 1.00 0.00 C ATOM 1156 OG SER A 79 -6.501 -16.126 -9.697 1.00 0.00 O ATOM 0 H SER A 79 -5.052 -13.339 -11.993 1.00 0.00 H new ATOM 0 HA SER A 79 -6.897 -15.538 -12.261 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.856 -15.583 -10.810 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.541 -14.309 -9.820 1.00 0.00 H new ATOM 0 HG SER A 79 -5.948 -16.417 -8.942 1.00 0.00 H new ATOM 1162 N GLY A 80 -9.041 -14.453 -11.690 1.00 0.00 N ATOM 1163 CA GLY A 80 -10.318 -13.889 -11.292 1.00 0.00 C ATOM 1164 C GLY A 80 -10.712 -14.284 -9.883 1.00 0.00 C ATOM 1165 O GLY A 80 -10.819 -15.469 -9.570 1.00 0.00 O ATOM 0 H GLY A 80 -9.098 -15.190 -12.393 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.269 -12.802 -11.361 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.090 -14.218 -11.988 1.00 0.00 H new TER 1169 GLY A 80