USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 730 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: 1 34 GLN : amide:sc= -3.25 K(o=-16,f=-22!) USER MOD Set 1.2: 1 37 LYS NZ :NH3+ -141:sc= -0.0112 (180deg=-1.53!) USER MOD Set 1.3: 1 38 ASN : amide:sc= -5.2! C(o=-16!,f=-18!) USER MOD Set 1.4: 1 42 GLN : amide:sc= -7.51! C(o=-16!,f=-17!) USER MOD Single : 1 23 ASN : amide:sc= -3.13 X(o=-3.1,f=-3) USER MOD Single : 1 27 GLN : amide:sc= -0.0034 K(o=-0.0034,f=-1.8) USER MOD Single : 1 32 SER OG : rot 37:sc= 1.06 USER MOD Single : 1 44 SER OG : rot 180:sc= 0 USER MOD Single : 1 45 THR OG1 : rot -30:sc= 0.342 USER MOD Single : 1 48 SER OG : rot -170:sc= -0.145 USER MOD Single : 1 52 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 74 TYR OH : rot 180:sc= 0 USER MOD Single : 1 75 TYR OH : rot 180:sc= 0 USER MOD Single : 1 76 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : 1 78 THR OG1 : rot 89:sc= 0.871 USER MOD Single : 1 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 92 GLN :FLIP amide:sc= -0.041 F(o=-0.68,f=-0.041) USER MOD Single : 1 97 LYS NZ :NH3+ -148:sc= -0.0888 (180deg=-0.719) USER MOD Single : 1 99 THR OG1 : rot -13:sc= 0.608 USER MOD Single : 1 105 HIS : no HD1:sc= -0.0455 X(o=-0.045,f=-0.18) USER MOD Single : 1 106 HIS : no HD1:sc= -0.636 X(o=-0.64,f=-0.18) USER MOD Single : 1 107 HIS : no HE2:sc= -0.379 K(o=-0.38,f=-4.1!) USER MOD Single : 1 108 HIS : no HD1:sc= -0.351 K(o=-0.35,f=-1.1) USER MOD Single : 1 109 HIS : no HD1:sc= 0.0666 K(o=0.067,f=-0.78) USER MOD Single : 1 110 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA 1 22 -15.558 7.331 9.939 1.00 0.00 N ATOM 2 CA ALA 1 22 -14.292 7.059 9.211 1.00 0.00 C ATOM 3 C ALA 1 22 -13.103 7.047 10.166 1.00 0.00 C ATOM 4 O ALA 1 22 -12.670 8.094 10.647 1.00 0.00 O ATOM 5 CB ALA 1 22 -14.079 8.096 8.118 1.00 0.00 C ATOM 0 HA ALA 1 22 -14.370 6.073 8.753 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -13.148 7.885 7.593 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -14.910 8.058 7.413 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -14.027 9.089 8.564 1.00 0.00 H new ATOM 13 N ASN 1 23 -12.581 5.856 10.437 1.00 0.00 N ATOM 14 CA ASN 1 23 -11.441 5.707 11.335 1.00 0.00 C ATOM 15 C ASN 1 23 -10.567 4.531 10.914 1.00 0.00 C ATOM 16 O ASN 1 23 -10.654 3.444 11.487 1.00 0.00 O ATOM 17 CB ASN 1 23 -11.921 5.510 12.774 1.00 0.00 C ATOM 18 CG ASN 1 23 -12.419 6.799 13.398 1.00 0.00 C ATOM 19 OD1 ASN 1 23 -11.719 7.429 14.191 1.00 0.00 O ATOM 20 ND2 ASN 1 23 -13.635 7.198 13.043 1.00 0.00 N ATOM 0 H ASN 1 23 -12.929 4.980 10.048 1.00 0.00 H new ATOM 0 HA ASN 1 23 -10.845 6.618 11.279 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 -12.721 4.769 12.789 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 -11.104 5.110 13.375 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -14.023 8.058 13.431 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -14.181 6.645 12.382 1.00 0.00 H new ATOM 27 N VAL 1 24 -9.724 4.754 9.911 1.00 0.00 N ATOM 28 CA VAL 1 24 -8.835 3.712 9.415 1.00 0.00 C ATOM 29 C VAL 1 24 -7.548 4.306 8.855 1.00 0.00 C ATOM 30 O VAL 1 24 -7.537 5.427 8.346 1.00 0.00 O ATOM 31 CB VAL 1 24 -9.515 2.867 8.322 1.00 0.00 C ATOM 32 CG1 VAL 1 24 -10.730 2.144 8.884 1.00 0.00 C ATOM 33 CG2 VAL 1 24 -9.901 3.741 7.141 1.00 0.00 C ATOM 0 H VAL 1 24 -9.639 5.647 9.426 1.00 0.00 H new ATOM 0 HA VAL 1 24 -8.596 3.071 10.264 1.00 0.00 H new ATOM 0 HB VAL 1 24 -8.807 2.115 7.972 1.00 0.00 H new ATOM 0 HG11 VAL 1 24 -11.197 1.552 8.097 1.00 0.00 H new ATOM 0 HG12 VAL 1 24 -10.419 1.487 9.696 1.00 0.00 H new ATOM 0 HG13 VAL 1 24 -11.445 2.874 9.262 1.00 0.00 H new ATOM 0 HG21 VAL 1 24 -10.380 3.129 6.377 1.00 0.00 H new ATOM 0 HG22 VAL 1 24 -10.593 4.516 7.472 1.00 0.00 H new ATOM 0 HG23 VAL 1 24 -9.007 4.206 6.725 1.00 0.00 H new ATOM 43 N ARG 1 25 -6.467 3.544 8.950 1.00 0.00 N ATOM 44 CA ARG 1 25 -5.170 3.985 8.452 1.00 0.00 C ATOM 45 C ARG 1 25 -4.338 2.796 7.984 1.00 0.00 C ATOM 46 O ARG 1 25 -3.855 2.008 8.797 1.00 0.00 O ATOM 47 CB ARG 1 25 -4.416 4.754 9.539 1.00 0.00 C ATOM 48 CG ARG 1 25 -4.657 6.254 9.500 1.00 0.00 C ATOM 49 CD ARG 1 25 -4.022 6.889 8.272 1.00 0.00 C ATOM 50 NE ARG 1 25 -3.369 8.157 8.588 1.00 0.00 N ATOM 51 CZ ARG 1 25 -2.961 9.029 7.669 1.00 0.00 C ATOM 52 NH1 ARG 1 25 -3.136 8.775 6.378 1.00 0.00 N ATOM 53 NH2 ARG 1 25 -2.376 10.160 8.041 1.00 0.00 N ATOM 0 H ARG 1 25 -6.462 2.614 9.369 1.00 0.00 H new ATOM 0 HA ARG 1 25 -5.339 4.646 7.602 1.00 0.00 H new ATOM 0 HB2 ARG 1 25 -4.713 4.372 10.516 1.00 0.00 H new ATOM 0 HB3 ARG 1 25 -3.348 4.563 9.433 1.00 0.00 H new ATOM 0 HG2 ARG 1 25 -5.729 6.451 9.500 1.00 0.00 H new ATOM 0 HG3 ARG 1 25 -4.249 6.713 10.400 1.00 0.00 H new ATOM 0 HD2 ARG 1 25 -3.292 6.202 7.845 1.00 0.00 H new ATOM 0 HD3 ARG 1 25 -4.786 7.054 7.513 1.00 0.00 H new ATOM 0 HE ARG 1 25 -3.217 8.387 9.570 1.00 0.00 H new ATOM 0 HH11 ARG 1 25 -3.585 7.907 6.085 1.00 0.00 H new ATOM 0 HH12 ARG 1 25 -2.821 9.447 5.679 1.00 0.00 H new ATOM 0 HH21 ARG 1 25 -2.239 10.361 9.031 1.00 0.00 H new ATOM 0 HH22 ARG 1 25 -2.063 10.828 7.337 1.00 0.00 H new ATOM 67 N LEU 1 26 -4.173 2.669 6.671 1.00 0.00 N ATOM 68 CA LEU 1 26 -3.397 1.572 6.107 1.00 0.00 C ATOM 69 C LEU 1 26 -1.919 1.723 6.450 1.00 0.00 C ATOM 70 O LEU 1 26 -1.345 2.803 6.310 1.00 0.00 O ATOM 71 CB LEU 1 26 -3.586 1.514 4.589 1.00 0.00 C ATOM 72 CG LEU 1 26 -4.692 0.571 4.104 1.00 0.00 C ATOM 73 CD1 LEU 1 26 -5.932 0.696 4.977 1.00 0.00 C ATOM 74 CD2 LEU 1 26 -5.033 0.860 2.650 1.00 0.00 C ATOM 0 H LEU 1 26 -4.565 3.310 5.981 1.00 0.00 H new ATOM 0 HA LEU 1 26 -3.756 0.639 6.542 1.00 0.00 H new ATOM 0 HB2 LEU 1 26 -3.803 2.519 4.228 1.00 0.00 H new ATOM 0 HB3 LEU 1 26 -2.644 1.208 4.133 1.00 0.00 H new ATOM 0 HG LEU 1 26 -4.326 -0.453 4.180 1.00 0.00 H new ATOM 0 HD11 LEU 1 26 -6.703 0.017 4.613 1.00 0.00 H new ATOM 0 HD12 LEU 1 26 -5.680 0.440 6.006 1.00 0.00 H new ATOM 0 HD13 LEU 1 26 -6.303 1.720 4.938 1.00 0.00 H new ATOM 0 HD21 LEU 1 26 -5.820 0.182 2.319 1.00 0.00 H new ATOM 0 HD22 LEU 1 26 -5.377 1.890 2.555 1.00 0.00 H new ATOM 0 HD23 LEU 1 26 -4.146 0.715 2.033 1.00 0.00 H new ATOM 86 N GLN 1 27 -1.309 0.634 6.905 1.00 0.00 N ATOM 87 CA GLN 1 27 0.102 0.646 7.274 1.00 0.00 C ATOM 88 C GLN 1 27 0.986 0.356 6.065 1.00 0.00 C ATOM 89 O GLN 1 27 0.668 -0.502 5.242 1.00 0.00 O ATOM 90 CB GLN 1 27 0.370 -0.379 8.379 1.00 0.00 C ATOM 91 CG GLN 1 27 1.164 0.181 9.548 1.00 0.00 C ATOM 92 CD GLN 1 27 0.306 0.990 10.500 1.00 0.00 C ATOM 93 OE1 GLN 1 27 -0.650 1.647 10.087 1.00 0.00 O ATOM 94 NE2 GLN 1 27 0.644 0.948 11.784 1.00 0.00 N ATOM 0 H GLN 1 27 -1.769 -0.268 7.027 1.00 0.00 H new ATOM 0 HA GLN 1 27 0.346 1.641 7.645 1.00 0.00 H new ATOM 0 HB2 GLN 1 27 -0.582 -0.761 8.747 1.00 0.00 H new ATOM 0 HB3 GLN 1 27 0.911 -1.225 7.955 1.00 0.00 H new ATOM 0 HG2 GLN 1 27 1.630 -0.640 10.093 1.00 0.00 H new ATOM 0 HG3 GLN 1 27 1.970 0.809 9.168 1.00 0.00 H new ATOM 0 HE21 GLN 1 27 1.444 0.390 12.083 1.00 0.00 H new ATOM 0 HE22 GLN 1 27 0.103 1.473 12.471 1.00 0.00 H new ATOM 103 N VAL 1 28 2.098 1.078 5.967 1.00 0.00 N ATOM 104 CA VAL 1 28 3.032 0.901 4.859 1.00 0.00 C ATOM 105 C VAL 1 28 4.316 0.222 5.320 1.00 0.00 C ATOM 106 O VAL 1 28 4.857 0.545 6.377 1.00 0.00 O ATOM 107 CB VAL 1 28 3.392 2.245 4.189 1.00 0.00 C ATOM 108 CG1 VAL 1 28 2.404 2.574 3.080 1.00 0.00 C ATOM 109 CG2 VAL 1 28 3.450 3.367 5.217 1.00 0.00 C ATOM 0 H VAL 1 28 2.375 1.791 6.641 1.00 0.00 H new ATOM 0 HA VAL 1 28 2.526 0.267 4.131 1.00 0.00 H new ATOM 0 HB VAL 1 28 4.382 2.148 3.744 1.00 0.00 H new ATOM 0 HG11 VAL 1 28 2.676 3.525 2.621 1.00 0.00 H new ATOM 0 HG12 VAL 1 28 2.428 1.787 2.326 1.00 0.00 H new ATOM 0 HG13 VAL 1 28 1.400 2.646 3.497 1.00 0.00 H new ATOM 0 HG21 VAL 1 28 3.705 4.303 4.720 1.00 0.00 H new ATOM 0 HG22 VAL 1 28 2.479 3.467 5.702 1.00 0.00 H new ATOM 0 HG23 VAL 1 28 4.207 3.135 5.966 1.00 0.00 H new ATOM 119 N GLU 1 29 4.801 -0.717 4.514 1.00 0.00 N ATOM 120 CA GLU 1 29 6.026 -1.442 4.830 1.00 0.00 C ATOM 121 C GLU 1 29 6.784 -1.798 3.555 1.00 0.00 C ATOM 122 O GLU 1 29 6.200 -2.290 2.591 1.00 0.00 O ATOM 123 CB GLU 1 29 5.703 -2.710 5.625 1.00 0.00 C ATOM 124 CG GLU 1 29 6.024 -2.597 7.106 1.00 0.00 C ATOM 125 CD GLU 1 29 6.594 -3.880 7.678 1.00 0.00 C ATOM 126 OE1 GLU 1 29 7.426 -4.515 6.997 1.00 0.00 O ATOM 127 OE2 GLU 1 29 6.210 -4.249 8.808 1.00 0.00 O ATOM 0 H GLU 1 29 4.363 -0.994 3.635 1.00 0.00 H new ATOM 0 HA GLU 1 29 6.659 -0.797 5.439 1.00 0.00 H new ATOM 0 HB2 GLU 1 29 4.645 -2.943 5.508 1.00 0.00 H new ATOM 0 HB3 GLU 1 29 6.262 -3.546 5.203 1.00 0.00 H new ATOM 0 HG2 GLU 1 29 6.737 -1.787 7.259 1.00 0.00 H new ATOM 0 HG3 GLU 1 29 5.118 -2.331 7.651 1.00 0.00 H new ATOM 134 N GLY 1 30 8.088 -1.542 3.557 1.00 0.00 N ATOM 135 CA GLY 1 30 8.906 -1.838 2.394 1.00 0.00 C ATOM 136 C GLY 1 30 8.835 -0.748 1.346 1.00 0.00 C ATOM 137 O GLY 1 30 8.794 -1.024 0.147 1.00 0.00 O ATOM 0 H GLY 1 30 8.594 -1.135 4.344 1.00 0.00 H new ATOM 0 HA2 GLY 1 30 9.942 -1.971 2.706 1.00 0.00 H new ATOM 0 HA3 GLY 1 30 8.581 -2.782 1.955 1.00 0.00 H new ATOM 141 N LEU 1 31 8.820 0.493 1.807 1.00 0.00 N ATOM 142 CA LEU 1 31 8.750 1.645 0.921 1.00 0.00 C ATOM 143 C LEU 1 31 9.661 2.763 1.417 1.00 0.00 C ATOM 144 O LEU 1 31 10.006 2.818 2.598 1.00 0.00 O ATOM 145 CB LEU 1 31 7.313 2.142 0.837 1.00 0.00 C ATOM 146 CG LEU 1 31 6.282 1.052 0.562 1.00 0.00 C ATOM 147 CD1 LEU 1 31 4.895 1.520 0.957 1.00 0.00 C ATOM 148 CD2 LEU 1 31 6.319 0.654 -0.904 1.00 0.00 C ATOM 0 H LEU 1 31 8.856 0.729 2.799 1.00 0.00 H new ATOM 0 HA LEU 1 31 9.086 1.343 -0.071 1.00 0.00 H new ATOM 0 HB2 LEU 1 31 7.058 2.638 1.774 1.00 0.00 H new ATOM 0 HB3 LEU 1 31 7.247 2.894 0.050 1.00 0.00 H new ATOM 0 HG LEU 1 31 6.528 0.177 1.164 1.00 0.00 H new ATOM 0 HD11 LEU 1 31 4.173 0.729 0.754 1.00 0.00 H new ATOM 0 HD12 LEU 1 31 4.881 1.760 2.020 1.00 0.00 H new ATOM 0 HD13 LEU 1 31 4.633 2.408 0.381 1.00 0.00 H new ATOM 0 HD21 LEU 1 31 5.579 -0.125 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU 1 31 6.094 1.523 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU 1 31 7.311 0.278 -1.154 1.00 0.00 H new ATOM 160 N SER 1 32 10.047 3.651 0.511 1.00 0.00 N ATOM 161 CA SER 1 32 10.918 4.767 0.858 1.00 0.00 C ATOM 162 C SER 1 32 10.923 5.822 -0.244 1.00 0.00 C ATOM 163 O SER 1 32 10.626 5.527 -1.401 1.00 0.00 O ATOM 164 CB SER 1 32 12.343 4.270 1.108 1.00 0.00 C ATOM 165 OG SER 1 32 12.523 3.898 2.464 1.00 0.00 O ATOM 0 H SER 1 32 9.771 3.621 -0.470 1.00 0.00 H new ATOM 0 HA SER 1 32 10.532 5.223 1.770 1.00 0.00 H new ATOM 0 HB2 SER 1 32 12.552 3.417 0.463 1.00 0.00 H new ATOM 0 HB3 SER 1 32 13.056 5.052 0.844 1.00 0.00 H new ATOM 0 HG SER 1 32 11.706 3.472 2.798 1.00 0.00 H new ATOM 171 N GLY 1 33 11.268 7.050 0.124 1.00 0.00 N ATOM 172 CA GLY 1 33 11.315 8.132 -0.842 1.00 0.00 C ATOM 173 C GLY 1 33 9.987 8.359 -1.539 1.00 0.00 C ATOM 174 O GLY 1 33 9.018 8.795 -0.919 1.00 0.00 O ATOM 0 H GLY 1 33 11.517 7.317 1.077 1.00 0.00 H new ATOM 0 HA2 GLY 1 33 11.616 9.050 -0.337 1.00 0.00 H new ATOM 0 HA3 GLY 1 33 12.079 7.913 -1.588 1.00 0.00 H new ATOM 178 N GLN 1 34 9.948 8.070 -2.837 1.00 0.00 N ATOM 179 CA GLN 1 34 8.735 8.254 -3.627 1.00 0.00 C ATOM 180 C GLN 1 34 7.854 7.005 -3.611 1.00 0.00 C ATOM 181 O GLN 1 34 6.714 7.040 -4.068 1.00 0.00 O ATOM 182 CB GLN 1 34 9.093 8.620 -5.069 1.00 0.00 C ATOM 183 CG GLN 1 34 8.186 9.681 -5.670 1.00 0.00 C ATOM 184 CD GLN 1 34 7.813 9.383 -7.109 1.00 0.00 C ATOM 185 OE1 GLN 1 34 6.644 9.459 -7.488 1.00 0.00 O ATOM 186 NE2 GLN 1 34 8.808 9.040 -7.919 1.00 0.00 N ATOM 0 H GLN 1 34 10.743 7.707 -3.364 1.00 0.00 H new ATOM 0 HA GLN 1 34 8.169 9.069 -3.175 1.00 0.00 H new ATOM 0 HB2 GLN 1 34 10.123 8.975 -5.100 1.00 0.00 H new ATOM 0 HB3 GLN 1 34 9.046 7.722 -5.685 1.00 0.00 H new ATOM 0 HG2 GLN 1 34 7.278 9.759 -5.072 1.00 0.00 H new ATOM 0 HG3 GLN 1 34 8.684 10.649 -5.621 1.00 0.00 H new ATOM 0 HE21 GLN 1 34 9.762 8.990 -7.562 1.00 0.00 H new ATOM 0 HE22 GLN 1 34 8.618 8.827 -8.898 1.00 0.00 H new ATOM 195 N LEU 1 35 8.379 5.905 -3.084 1.00 0.00 N ATOM 196 CA LEU 1 35 7.618 4.665 -3.014 1.00 0.00 C ATOM 197 C LEU 1 35 6.667 4.700 -1.828 1.00 0.00 C ATOM 198 O LEU 1 35 5.482 4.391 -1.955 1.00 0.00 O ATOM 199 CB LEU 1 35 8.553 3.469 -2.902 1.00 0.00 C ATOM 200 CG LEU 1 35 9.209 3.044 -4.213 1.00 0.00 C ATOM 201 CD1 LEU 1 35 8.292 2.142 -5.008 1.00 0.00 C ATOM 202 CD2 LEU 1 35 9.586 4.250 -5.046 1.00 0.00 C ATOM 0 H LEU 1 35 9.323 5.847 -2.701 1.00 0.00 H new ATOM 0 HA LEU 1 35 7.036 4.564 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU 1 35 9.335 3.704 -2.180 1.00 0.00 H new ATOM 0 HB3 LEU 1 35 7.993 2.624 -2.502 1.00 0.00 H new ATOM 0 HG LEU 1 35 10.115 2.493 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU 1 35 8.782 1.853 -5.938 1.00 0.00 H new ATOM 0 HD12 LEU 1 35 8.064 1.250 -4.425 1.00 0.00 H new ATOM 0 HD13 LEU 1 35 7.367 2.672 -5.235 1.00 0.00 H new ATOM 0 HD21 LEU 1 35 10.051 3.920 -5.975 1.00 0.00 H new ATOM 0 HD22 LEU 1 35 8.691 4.829 -5.275 1.00 0.00 H new ATOM 0 HD23 LEU 1 35 10.288 4.872 -4.490 1.00 0.00 H new ATOM 214 N GLU 1 36 7.198 5.093 -0.676 1.00 0.00 N ATOM 215 CA GLU 1 36 6.410 5.187 0.538 1.00 0.00 C ATOM 216 C GLU 1 36 5.378 6.305 0.420 1.00 0.00 C ATOM 217 O GLU 1 36 4.307 6.242 1.024 1.00 0.00 O ATOM 218 CB GLU 1 36 7.331 5.433 1.734 1.00 0.00 C ATOM 219 CG GLU 1 36 7.908 6.839 1.788 1.00 0.00 C ATOM 220 CD GLU 1 36 9.013 6.976 2.817 1.00 0.00 C ATOM 221 OE1 GLU 1 36 8.970 6.253 3.835 1.00 0.00 O ATOM 222 OE2 GLU 1 36 9.920 7.808 2.606 1.00 0.00 O ATOM 0 H GLU 1 36 8.178 5.352 -0.562 1.00 0.00 H new ATOM 0 HA GLU 1 36 5.878 4.248 0.688 1.00 0.00 H new ATOM 0 HB2 GLU 1 36 6.776 5.243 2.653 1.00 0.00 H new ATOM 0 HB3 GLU 1 36 8.151 4.715 1.703 1.00 0.00 H new ATOM 0 HG2 GLU 1 36 8.296 7.106 0.805 1.00 0.00 H new ATOM 0 HG3 GLU 1 36 7.111 7.546 2.019 1.00 0.00 H new ATOM 229 N LYS 1 37 5.706 7.325 -0.370 1.00 0.00 N ATOM 230 CA LYS 1 37 4.805 8.452 -0.573 1.00 0.00 C ATOM 231 C LYS 1 37 3.670 8.066 -1.520 1.00 0.00 C ATOM 232 O LYS 1 37 2.503 8.378 -1.270 1.00 0.00 O ATOM 233 CB LYS 1 37 5.579 9.669 -1.111 1.00 0.00 C ATOM 234 CG LYS 1 37 5.847 9.639 -2.609 1.00 0.00 C ATOM 235 CD LYS 1 37 4.634 10.092 -3.411 1.00 0.00 C ATOM 236 CE LYS 1 37 4.902 11.396 -4.145 1.00 0.00 C ATOM 237 NZ LYS 1 37 5.091 11.183 -5.607 1.00 0.00 N ATOM 0 H LYS 1 37 6.588 7.392 -0.878 1.00 0.00 H new ATOM 0 HA LYS 1 37 4.367 8.725 0.387 1.00 0.00 H new ATOM 0 HB2 LYS 1 37 5.018 10.573 -0.874 1.00 0.00 H new ATOM 0 HB3 LYS 1 37 6.532 9.738 -0.586 1.00 0.00 H new ATOM 0 HG2 LYS 1 37 6.696 10.283 -2.839 1.00 0.00 H new ATOM 0 HG3 LYS 1 37 6.124 8.628 -2.908 1.00 0.00 H new ATOM 0 HD2 LYS 1 37 4.363 9.319 -4.130 1.00 0.00 H new ATOM 0 HD3 LYS 1 37 3.782 10.219 -2.743 1.00 0.00 H new ATOM 0 HE2 LYS 1 37 4.070 12.081 -3.983 1.00 0.00 H new ATOM 0 HE3 LYS 1 37 5.791 11.870 -3.729 1.00 0.00 H new ATOM 0 HZ1 LYS 1 37 5.847 11.807 -5.954 1.00 0.00 H new ATOM 0 HZ2 LYS 1 37 5.353 10.192 -5.782 1.00 0.00 H new ATOM 0 HZ3 LYS 1 37 4.205 11.401 -6.107 1.00 0.00 H new ATOM 251 N ASN 1 38 4.018 7.371 -2.601 1.00 0.00 N ATOM 252 CA ASN 1 38 3.029 6.934 -3.574 1.00 0.00 C ATOM 253 C ASN 1 38 2.028 5.991 -2.918 1.00 0.00 C ATOM 254 O ASN 1 38 0.817 6.126 -3.100 1.00 0.00 O ATOM 255 CB ASN 1 38 3.716 6.242 -4.754 1.00 0.00 C ATOM 256 CG ASN 1 38 3.420 6.924 -6.075 1.00 0.00 C ATOM 257 OD1 ASN 1 38 3.640 8.125 -6.230 1.00 0.00 O ATOM 258 ND2 ASN 1 38 2.919 6.159 -7.037 1.00 0.00 N ATOM 0 H ASN 1 38 4.976 7.101 -2.822 1.00 0.00 H new ATOM 0 HA ASN 1 38 2.494 7.808 -3.947 1.00 0.00 H new ATOM 0 HB2 ASN 1 38 4.793 6.230 -4.588 1.00 0.00 H new ATOM 0 HB3 ASN 1 38 3.389 5.203 -4.803 1.00 0.00 H new ATOM 0 HD21 ASN 1 38 2.701 6.563 -7.948 1.00 0.00 H new ATOM 0 HD22 ASN 1 38 2.752 5.167 -6.865 1.00 0.00 H new ATOM 265 N VAL 1 39 2.544 5.043 -2.142 1.00 0.00 N ATOM 266 CA VAL 1 39 1.696 4.088 -1.446 1.00 0.00 C ATOM 267 C VAL 1 39 0.781 4.809 -0.467 1.00 0.00 C ATOM 268 O VAL 1 39 -0.414 4.525 -0.397 1.00 0.00 O ATOM 269 CB VAL 1 39 2.530 3.035 -0.691 1.00 0.00 C ATOM 270 CG1 VAL 1 39 1.623 2.010 -0.025 1.00 0.00 C ATOM 271 CG2 VAL 1 39 3.513 2.356 -1.637 1.00 0.00 C ATOM 0 H VAL 1 39 3.543 4.918 -1.981 1.00 0.00 H new ATOM 0 HA VAL 1 39 1.096 3.575 -2.197 1.00 0.00 H new ATOM 0 HB VAL 1 39 3.100 3.540 0.089 1.00 0.00 H new ATOM 0 HG11 VAL 1 39 2.231 1.275 0.503 1.00 0.00 H new ATOM 0 HG12 VAL 1 39 0.965 2.513 0.683 1.00 0.00 H new ATOM 0 HG13 VAL 1 39 1.023 1.507 -0.784 1.00 0.00 H new ATOM 0 HG21 VAL 1 39 4.094 1.615 -1.088 1.00 0.00 H new ATOM 0 HG22 VAL 1 39 2.964 1.864 -2.440 1.00 0.00 H new ATOM 0 HG23 VAL 1 39 4.185 3.102 -2.061 1.00 0.00 H new ATOM 281 N ARG 1 40 1.346 5.756 0.279 1.00 0.00 N ATOM 282 CA ARG 1 40 0.574 6.531 1.245 1.00 0.00 C ATOM 283 C ARG 1 40 -0.671 7.111 0.584 1.00 0.00 C ATOM 284 O ARG 1 40 -1.773 7.034 1.130 1.00 0.00 O ATOM 285 CB ARG 1 40 1.430 7.655 1.833 1.00 0.00 C ATOM 286 CG ARG 1 40 2.025 7.319 3.191 1.00 0.00 C ATOM 287 CD ARG 1 40 3.252 8.165 3.486 1.00 0.00 C ATOM 288 NE ARG 1 40 2.904 9.428 4.132 1.00 0.00 N ATOM 289 CZ ARG 1 40 3.742 10.454 4.255 1.00 0.00 C ATOM 290 NH1 ARG 1 40 4.978 10.371 3.777 1.00 0.00 N ATOM 291 NH2 ARG 1 40 3.344 11.567 4.857 1.00 0.00 N ATOM 0 H ARG 1 40 2.334 6.004 0.233 1.00 0.00 H new ATOM 0 HA ARG 1 40 0.266 5.868 2.053 1.00 0.00 H new ATOM 0 HB2 ARG 1 40 2.238 7.886 1.139 1.00 0.00 H new ATOM 0 HB3 ARG 1 40 0.821 8.554 1.925 1.00 0.00 H new ATOM 0 HG2 ARG 1 40 1.276 7.479 3.967 1.00 0.00 H new ATOM 0 HG3 ARG 1 40 2.294 6.263 3.220 1.00 0.00 H new ATOM 0 HD2 ARG 1 40 3.932 7.605 4.128 1.00 0.00 H new ATOM 0 HD3 ARG 1 40 3.784 8.368 2.557 1.00 0.00 H new ATOM 0 HE ARG 1 40 1.963 9.529 4.511 1.00 0.00 H new ATOM 0 HH11 ARG 1 40 5.289 9.518 3.313 1.00 0.00 H new ATOM 0 HH12 ARG 1 40 5.616 11.161 3.874 1.00 0.00 H new ATOM 0 HH21 ARG 1 40 2.395 11.636 5.226 1.00 0.00 H new ATOM 0 HH22 ARG 1 40 3.987 12.354 4.951 1.00 0.00 H new ATOM 305 N ALA 1 41 -0.492 7.677 -0.605 1.00 0.00 N ATOM 306 CA ALA 1 41 -1.607 8.250 -1.344 1.00 0.00 C ATOM 307 C ALA 1 41 -2.644 7.176 -1.654 1.00 0.00 C ATOM 308 O ALA 1 41 -3.831 7.334 -1.360 1.00 0.00 O ATOM 309 CB ALA 1 41 -1.114 8.902 -2.627 1.00 0.00 C ATOM 0 H ALA 1 41 0.411 7.750 -1.074 1.00 0.00 H new ATOM 0 HA ALA 1 41 -2.076 9.016 -0.727 1.00 0.00 H new ATOM 0 HB1 ALA 1 41 -1.960 9.326 -3.168 1.00 0.00 H new ATOM 0 HB2 ALA 1 41 -0.405 9.694 -2.384 1.00 0.00 H new ATOM 0 HB3 ALA 1 41 -0.623 8.154 -3.250 1.00 0.00 H new ATOM 315 N GLN 1 42 -2.183 6.072 -2.236 1.00 0.00 N ATOM 316 CA GLN 1 42 -3.066 4.966 -2.571 1.00 0.00 C ATOM 317 C GLN 1 42 -3.705 4.403 -1.308 1.00 0.00 C ATOM 318 O GLN 1 42 -4.848 3.947 -1.329 1.00 0.00 O ATOM 319 CB GLN 1 42 -2.295 3.870 -3.312 1.00 0.00 C ATOM 320 CG GLN 1 42 -1.594 4.367 -4.568 1.00 0.00 C ATOM 321 CD GLN 1 42 -0.139 3.963 -4.624 1.00 0.00 C ATOM 322 OE1 GLN 1 42 0.258 2.947 -4.058 1.00 0.00 O ATOM 323 NE2 GLN 1 42 0.663 4.757 -5.316 1.00 0.00 N ATOM 0 H GLN 1 42 -1.205 5.923 -2.484 1.00 0.00 H new ATOM 0 HA GLN 1 42 -3.854 5.336 -3.227 1.00 0.00 H new ATOM 0 HB2 GLN 1 42 -1.555 3.438 -2.638 1.00 0.00 H new ATOM 0 HB3 GLN 1 42 -2.985 3.070 -3.582 1.00 0.00 H new ATOM 0 HG2 GLN 1 42 -2.109 3.976 -5.445 1.00 0.00 H new ATOM 0 HG3 GLN 1 42 -1.667 5.454 -4.614 1.00 0.00 H new ATOM 0 HE21 GLN 1 42 0.289 5.590 -5.769 1.00 0.00 H new ATOM 0 HE22 GLN 1 42 1.655 4.535 -5.396 1.00 0.00 H new ATOM 332 N LEU 1 43 -2.965 4.456 -0.203 1.00 0.00 N ATOM 333 CA LEU 1 43 -3.466 3.967 1.075 1.00 0.00 C ATOM 334 C LEU 1 43 -4.721 4.733 1.474 1.00 0.00 C ATOM 335 O LEU 1 43 -5.682 4.156 1.983 1.00 0.00 O ATOM 336 CB LEU 1 43 -2.401 4.115 2.166 1.00 0.00 C ATOM 337 CG LEU 1 43 -1.165 3.210 2.033 1.00 0.00 C ATOM 338 CD1 LEU 1 43 -0.746 2.687 3.398 1.00 0.00 C ATOM 339 CD2 LEU 1 43 -1.425 2.052 1.077 1.00 0.00 C ATOM 0 H LEU 1 43 -2.018 4.833 -0.169 1.00 0.00 H new ATOM 0 HA LEU 1 43 -3.709 2.910 0.965 1.00 0.00 H new ATOM 0 HB2 LEU 1 43 -2.067 5.152 2.180 1.00 0.00 H new ATOM 0 HB3 LEU 1 43 -2.868 3.917 3.131 1.00 0.00 H new ATOM 0 HG LEU 1 43 -0.354 3.808 1.619 1.00 0.00 H new ATOM 0 HD11 LEU 1 43 0.130 2.048 3.289 1.00 0.00 H new ATOM 0 HD12 LEU 1 43 -0.504 3.526 4.051 1.00 0.00 H new ATOM 0 HD13 LEU 1 43 -1.563 2.112 3.834 1.00 0.00 H new ATOM 0 HD21 LEU 1 43 -0.532 1.432 1.005 1.00 0.00 H new ATOM 0 HD22 LEU 1 43 -2.255 1.452 1.450 1.00 0.00 H new ATOM 0 HD23 LEU 1 43 -1.675 2.443 0.091 1.00 0.00 H new ATOM 351 N SER 1 44 -4.701 6.040 1.233 1.00 0.00 N ATOM 352 CA SER 1 44 -5.834 6.896 1.561 1.00 0.00 C ATOM 353 C SER 1 44 -6.917 6.817 0.487 1.00 0.00 C ATOM 354 O SER 1 44 -8.064 7.194 0.726 1.00 0.00 O ATOM 355 CB SER 1 44 -5.371 8.345 1.726 1.00 0.00 C ATOM 356 OG SER 1 44 -5.035 8.623 3.075 1.00 0.00 O ATOM 0 H SER 1 44 -3.912 6.529 0.811 1.00 0.00 H new ATOM 0 HA SER 1 44 -6.259 6.543 2.501 1.00 0.00 H new ATOM 0 HB2 SER 1 44 -4.507 8.529 1.087 1.00 0.00 H new ATOM 0 HB3 SER 1 44 -6.160 9.022 1.398 1.00 0.00 H new ATOM 0 HG SER 1 44 -4.741 9.554 3.154 1.00 0.00 H new ATOM 362 N THR 1 45 -6.553 6.326 -0.697 1.00 0.00 N ATOM 363 CA THR 1 45 -7.510 6.206 -1.794 1.00 0.00 C ATOM 364 C THR 1 45 -8.272 4.886 -1.719 1.00 0.00 C ATOM 365 O THR 1 45 -9.350 4.747 -2.297 1.00 0.00 O ATOM 366 CB THR 1 45 -6.798 6.318 -3.145 1.00 0.00 C ATOM 367 OG1 THR 1 45 -6.096 5.125 -3.448 1.00 0.00 O ATOM 368 CG2 THR 1 45 -5.810 7.462 -3.208 1.00 0.00 C ATOM 0 H THR 1 45 -5.610 6.007 -0.919 1.00 0.00 H new ATOM 0 HA THR 1 45 -8.225 7.023 -1.699 1.00 0.00 H new ATOM 0 HB THR 1 45 -7.590 6.502 -3.871 1.00 0.00 H new ATOM 0 HG1 THR 1 45 -5.802 4.698 -2.616 1.00 0.00 H new ATOM 0 HG21 THR 1 45 -5.341 7.484 -4.192 1.00 0.00 H new ATOM 0 HG22 THR 1 45 -6.331 8.403 -3.033 1.00 0.00 H new ATOM 0 HG23 THR 1 45 -5.044 7.324 -2.444 1.00 0.00 H new ATOM 376 N ILE 1 46 -7.706 3.916 -1.005 1.00 0.00 N ATOM 377 CA ILE 1 46 -8.332 2.608 -0.858 1.00 0.00 C ATOM 378 C ILE 1 46 -9.753 2.733 -0.305 1.00 0.00 C ATOM 379 O ILE 1 46 -10.125 3.760 0.264 1.00 0.00 O ATOM 380 CB ILE 1 46 -7.491 1.688 0.063 1.00 0.00 C ATOM 381 CG1 ILE 1 46 -6.080 1.473 -0.507 1.00 0.00 C ATOM 382 CG2 ILE 1 46 -8.177 0.345 0.264 1.00 0.00 C ATOM 383 CD1 ILE 1 46 -5.993 1.571 -2.018 1.00 0.00 C ATOM 0 H ILE 1 46 -6.814 4.013 -0.519 1.00 0.00 H new ATOM 0 HA ILE 1 46 -8.382 2.160 -1.851 1.00 0.00 H new ATOM 0 HB ILE 1 46 -7.403 2.185 1.029 1.00 0.00 H new ATOM 0 HG12 ILE 1 46 -5.408 2.210 -0.068 1.00 0.00 H new ATOM 0 HG13 ILE 1 46 -5.722 0.491 -0.198 1.00 0.00 H new ATOM 0 HG21 ILE 1 46 -7.566 -0.282 0.914 1.00 0.00 H new ATOM 0 HG22 ILE 1 46 -9.154 0.500 0.723 1.00 0.00 H new ATOM 0 HG23 ILE 1 46 -8.303 -0.147 -0.700 1.00 0.00 H new ATOM 0 HD11 ILE 1 46 -4.963 1.407 -2.335 1.00 0.00 H new ATOM 0 HD12 ILE 1 46 -6.636 0.816 -2.469 1.00 0.00 H new ATOM 0 HD13 ILE 1 46 -6.317 2.561 -2.338 1.00 0.00 H new ATOM 395 N GLU 1 47 -10.541 1.676 -0.486 1.00 0.00 N ATOM 396 CA GLU 1 47 -11.926 1.639 -0.024 1.00 0.00 C ATOM 397 C GLU 1 47 -12.036 1.639 1.505 1.00 0.00 C ATOM 398 O GLU 1 47 -13.137 1.580 2.046 1.00 0.00 O ATOM 399 CB GLU 1 47 -12.630 0.404 -0.586 1.00 0.00 C ATOM 400 CG GLU 1 47 -12.393 0.194 -2.072 1.00 0.00 C ATOM 401 CD GLU 1 47 -13.290 -0.877 -2.660 1.00 0.00 C ATOM 402 OE1 GLU 1 47 -14.334 -1.181 -2.045 1.00 0.00 O ATOM 403 OE2 GLU 1 47 -12.950 -1.412 -3.736 1.00 0.00 O ATOM 0 H GLU 1 47 -10.238 0.823 -0.956 1.00 0.00 H new ATOM 0 HA GLU 1 47 -12.408 2.546 -0.387 1.00 0.00 H new ATOM 0 HB2 GLU 1 47 -12.288 -0.477 -0.044 1.00 0.00 H new ATOM 0 HB3 GLU 1 47 -13.701 0.493 -0.406 1.00 0.00 H new ATOM 0 HG2 GLU 1 47 -12.561 1.133 -2.599 1.00 0.00 H new ATOM 0 HG3 GLU 1 47 -11.351 -0.081 -2.235 1.00 0.00 H new ATOM 410 N SER 1 48 -10.904 1.696 2.202 1.00 0.00 N ATOM 411 CA SER 1 48 -10.905 1.690 3.666 1.00 0.00 C ATOM 412 C SER 1 48 -11.762 2.816 4.254 1.00 0.00 C ATOM 413 O SER 1 48 -11.901 2.919 5.473 1.00 0.00 O ATOM 414 CB SER 1 48 -9.476 1.799 4.202 1.00 0.00 C ATOM 415 OG SER 1 48 -9.343 1.127 5.442 1.00 0.00 O ATOM 0 H SER 1 48 -9.977 1.747 1.781 1.00 0.00 H new ATOM 0 HA SER 1 48 -11.344 0.742 3.977 1.00 0.00 H new ATOM 0 HB2 SER 1 48 -8.780 1.375 3.479 1.00 0.00 H new ATOM 0 HB3 SER 1 48 -9.209 2.849 4.323 1.00 0.00 H new ATOM 0 HG SER 1 48 -8.473 1.342 5.839 1.00 0.00 H new ATOM 421 N ASP 1 49 -12.340 3.652 3.396 1.00 0.00 N ATOM 422 CA ASP 1 49 -13.185 4.758 3.838 1.00 0.00 C ATOM 423 C ASP 1 49 -14.497 4.265 4.457 1.00 0.00 C ATOM 424 O ASP 1 49 -15.535 4.909 4.307 1.00 0.00 O ATOM 425 CB ASP 1 49 -13.483 5.683 2.661 1.00 0.00 C ATOM 426 CG ASP 1 49 -14.339 5.018 1.600 1.00 0.00 C ATOM 427 OD1 ASP 1 49 -13.861 4.049 0.973 1.00 0.00 O ATOM 428 OD2 ASP 1 49 -15.487 5.466 1.396 1.00 0.00 O ATOM 0 H ASP 1 49 -12.238 3.584 2.383 1.00 0.00 H new ATOM 0 HA ASP 1 49 -12.640 5.303 4.609 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -13.991 6.576 3.025 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -12.544 6.010 2.213 1.00 0.00 H new ATOM 433 N GLU 1 50 -14.442 3.120 5.140 1.00 0.00 N ATOM 434 CA GLU 1 50 -15.613 2.522 5.781 1.00 0.00 C ATOM 435 C GLU 1 50 -16.360 1.612 4.811 1.00 0.00 C ATOM 436 O GLU 1 50 -17.419 1.968 4.295 1.00 0.00 O ATOM 437 CB GLU 1 50 -16.556 3.594 6.339 1.00 0.00 C ATOM 438 CG GLU 1 50 -17.100 3.258 7.716 1.00 0.00 C ATOM 439 CD GLU 1 50 -18.536 2.772 7.674 1.00 0.00 C ATOM 440 OE1 GLU 1 50 -18.770 1.655 7.169 1.00 0.00 O ATOM 441 OE2 GLU 1 50 -19.426 3.510 8.147 1.00 0.00 O ATOM 0 H GLU 1 50 -13.584 2.582 5.264 1.00 0.00 H new ATOM 0 HA GLU 1 50 -15.255 1.920 6.616 1.00 0.00 H new ATOM 0 HB2 GLU 1 50 -16.025 4.545 6.388 1.00 0.00 H new ATOM 0 HB3 GLU 1 50 -17.390 3.729 5.650 1.00 0.00 H new ATOM 0 HG2 GLU 1 50 -16.474 2.491 8.172 1.00 0.00 H new ATOM 0 HG3 GLU 1 50 -17.038 4.141 8.352 1.00 0.00 H new ATOM 448 N VAL 1 51 -15.794 0.431 4.571 1.00 0.00 N ATOM 449 CA VAL 1 51 -16.397 -0.540 3.667 1.00 0.00 C ATOM 450 C VAL 1 51 -16.238 -1.962 4.204 1.00 0.00 C ATOM 451 O VAL 1 51 -15.881 -2.158 5.365 1.00 0.00 O ATOM 452 CB VAL 1 51 -15.783 -0.446 2.254 1.00 0.00 C ATOM 453 CG1 VAL 1 51 -15.732 1.002 1.795 1.00 0.00 C ATOM 454 CG2 VAL 1 51 -14.395 -1.068 2.217 1.00 0.00 C ATOM 0 H VAL 1 51 -14.917 0.125 4.992 1.00 0.00 H new ATOM 0 HA VAL 1 51 -17.459 -0.304 3.602 1.00 0.00 H new ATOM 0 HB VAL 1 51 -16.420 -1.007 1.570 1.00 0.00 H new ATOM 0 HG11 VAL 1 51 -15.297 1.052 0.797 1.00 0.00 H new ATOM 0 HG12 VAL 1 51 -16.742 1.412 1.771 1.00 0.00 H new ATOM 0 HG13 VAL 1 51 -15.121 1.582 2.487 1.00 0.00 H new ATOM 0 HG21 VAL 1 51 -13.987 -0.987 1.209 1.00 0.00 H new ATOM 0 HG22 VAL 1 51 -13.743 -0.544 2.916 1.00 0.00 H new ATOM 0 HG23 VAL 1 51 -14.460 -2.119 2.499 1.00 0.00 H new ATOM 464 N THR 1 52 -16.502 -2.948 3.351 1.00 0.00 N ATOM 465 CA THR 1 52 -16.384 -4.349 3.740 1.00 0.00 C ATOM 466 C THR 1 52 -15.058 -4.932 3.251 1.00 0.00 C ATOM 467 O THR 1 52 -14.943 -5.342 2.096 1.00 0.00 O ATOM 468 CB THR 1 52 -17.552 -5.157 3.169 1.00 0.00 C ATOM 469 OG1 THR 1 52 -18.786 -4.675 3.670 1.00 0.00 O ATOM 470 CG2 THR 1 52 -17.474 -6.635 3.486 1.00 0.00 C ATOM 0 H THR 1 52 -16.799 -2.802 2.386 1.00 0.00 H new ATOM 0 HA THR 1 52 -16.411 -4.407 4.828 1.00 0.00 H new ATOM 0 HB THR 1 52 -17.487 -5.032 2.088 1.00 0.00 H new ATOM 0 HG1 THR 1 52 -19.521 -5.202 3.293 1.00 0.00 H new ATOM 0 HG21 THR 1 52 -18.333 -7.146 3.051 1.00 0.00 H new ATOM 0 HG22 THR 1 52 -16.556 -7.049 3.069 1.00 0.00 H new ATOM 0 HG23 THR 1 52 -17.477 -6.776 4.567 1.00 0.00 H new ATOM 478 N PRO 1 53 -14.033 -4.971 4.121 1.00 0.00 N ATOM 479 CA PRO 1 53 -12.715 -5.500 3.758 1.00 0.00 C ATOM 480 C PRO 1 53 -12.715 -7.015 3.581 1.00 0.00 C ATOM 481 O PRO 1 53 -12.967 -7.764 4.525 1.00 0.00 O ATOM 482 CB PRO 1 53 -11.834 -5.104 4.943 1.00 0.00 C ATOM 483 CG PRO 1 53 -12.775 -4.998 6.092 1.00 0.00 C ATOM 484 CD PRO 1 53 -14.072 -4.497 5.518 1.00 0.00 C ATOM 0 HA PRO 1 53 -12.374 -5.106 2.801 1.00 0.00 H new ATOM 0 HB2 PRO 1 53 -11.062 -5.851 5.130 1.00 0.00 H new ATOM 0 HB3 PRO 1 53 -11.324 -4.158 4.759 1.00 0.00 H new ATOM 0 HG2 PRO 1 53 -12.910 -5.965 6.577 1.00 0.00 H new ATOM 0 HG3 PRO 1 53 -12.392 -4.313 6.848 1.00 0.00 H new ATOM 0 HD2 PRO 1 53 -14.931 -4.899 6.055 1.00 0.00 H new ATOM 0 HD3 PRO 1 53 -14.142 -3.411 5.572 1.00 0.00 H new ATOM 492 N ASP 1 54 -12.420 -7.454 2.364 1.00 0.00 N ATOM 493 CA ASP 1 54 -12.370 -8.872 2.041 1.00 0.00 C ATOM 494 C ASP 1 54 -11.311 -9.136 0.979 1.00 0.00 C ATOM 495 O ASP 1 54 -10.612 -8.219 0.550 1.00 0.00 O ATOM 496 CB ASP 1 54 -13.736 -9.361 1.557 1.00 0.00 C ATOM 497 CG ASP 1 54 -14.039 -10.775 2.010 1.00 0.00 C ATOM 498 OD1 ASP 1 54 -13.935 -11.044 3.226 1.00 0.00 O ATOM 499 OD2 ASP 1 54 -14.379 -11.615 1.150 1.00 0.00 O ATOM 0 H ASP 1 54 -12.210 -6.840 1.577 1.00 0.00 H new ATOM 0 HA ASP 1 54 -12.105 -9.421 2.945 1.00 0.00 H new ATOM 0 HB2 ASP 1 54 -14.511 -8.690 1.928 1.00 0.00 H new ATOM 0 HB3 ASP 1 54 -13.770 -9.316 0.468 1.00 0.00 H new ATOM 504 N ARG 1 55 -11.194 -10.393 0.558 1.00 0.00 N ATOM 505 CA ARG 1 55 -10.215 -10.773 -0.459 1.00 0.00 C ATOM 506 C ARG 1 55 -10.211 -9.779 -1.619 1.00 0.00 C ATOM 507 O ARG 1 55 -9.187 -9.575 -2.271 1.00 0.00 O ATOM 508 CB ARG 1 55 -10.510 -12.181 -0.980 1.00 0.00 C ATOM 509 CG ARG 1 55 -9.342 -12.812 -1.721 1.00 0.00 C ATOM 510 CD ARG 1 55 -9.274 -14.311 -1.478 1.00 0.00 C ATOM 511 NE ARG 1 55 -8.334 -14.970 -2.382 1.00 0.00 N ATOM 512 CZ ARG 1 55 -7.011 -14.857 -2.286 1.00 0.00 C ATOM 513 NH1 ARG 1 55 -6.469 -14.113 -1.329 1.00 0.00 N ATOM 514 NH2 ARG 1 55 -6.228 -15.489 -3.149 1.00 0.00 N ATOM 0 H ARG 1 55 -11.764 -11.165 0.904 1.00 0.00 H new ATOM 0 HA ARG 1 55 -9.229 -10.762 0.005 1.00 0.00 H new ATOM 0 HB2 ARG 1 55 -10.785 -12.820 -0.141 1.00 0.00 H new ATOM 0 HB3 ARG 1 55 -11.372 -12.140 -1.645 1.00 0.00 H new ATOM 0 HG2 ARG 1 55 -9.441 -12.619 -2.789 1.00 0.00 H new ATOM 0 HG3 ARG 1 55 -8.411 -12.347 -1.398 1.00 0.00 H new ATOM 0 HD2 ARG 1 55 -8.976 -14.498 -0.446 1.00 0.00 H new ATOM 0 HD3 ARG 1 55 -10.266 -14.745 -1.607 1.00 0.00 H new ATOM 0 HE ARG 1 55 -8.714 -15.550 -3.130 1.00 0.00 H new ATOM 0 HH11 ARG 1 55 -7.067 -13.624 -0.663 1.00 0.00 H new ATOM 0 HH12 ARG 1 55 -5.455 -14.030 -1.260 1.00 0.00 H new ATOM 0 HH21 ARG 1 55 -6.639 -16.062 -3.886 1.00 0.00 H new ATOM 0 HH22 ARG 1 55 -5.214 -15.403 -3.076 1.00 0.00 H new ATOM 528 N ARG 1 56 -11.361 -9.159 -1.864 1.00 0.00 N ATOM 529 CA ARG 1 56 -11.489 -8.181 -2.939 1.00 0.00 C ATOM 530 C ARG 1 56 -10.880 -6.846 -2.528 1.00 0.00 C ATOM 531 O ARG 1 56 -10.214 -6.183 -3.323 1.00 0.00 O ATOM 532 CB ARG 1 56 -12.958 -7.990 -3.316 1.00 0.00 C ATOM 533 CG ARG 1 56 -13.870 -7.751 -2.123 1.00 0.00 C ATOM 534 CD ARG 1 56 -15.246 -7.276 -2.560 1.00 0.00 C ATOM 535 NE ARG 1 56 -16.096 -8.383 -2.991 1.00 0.00 N ATOM 536 CZ ARG 1 56 -17.239 -8.226 -3.655 1.00 0.00 C ATOM 537 NH1 ARG 1 56 -17.672 -7.010 -3.965 1.00 0.00 N ATOM 538 NH2 ARG 1 56 -17.951 -9.287 -4.010 1.00 0.00 N ATOM 0 H ARG 1 56 -12.217 -9.316 -1.333 1.00 0.00 H new ATOM 0 HA ARG 1 56 -10.948 -8.559 -3.807 1.00 0.00 H new ATOM 0 HB2 ARG 1 56 -13.041 -7.146 -4.000 1.00 0.00 H new ATOM 0 HB3 ARG 1 56 -13.303 -8.872 -3.855 1.00 0.00 H new ATOM 0 HG2 ARG 1 56 -13.967 -8.672 -1.548 1.00 0.00 H new ATOM 0 HG3 ARG 1 56 -13.421 -7.009 -1.463 1.00 0.00 H new ATOM 0 HD2 ARG 1 56 -15.727 -6.750 -1.735 1.00 0.00 H new ATOM 0 HD3 ARG 1 56 -15.140 -6.561 -3.376 1.00 0.00 H new ATOM 0 HE ARG 1 56 -15.796 -9.333 -2.770 1.00 0.00 H new ATOM 0 HH11 ARG 1 56 -17.128 -6.191 -3.694 1.00 0.00 H new ATOM 0 HH12 ARG 1 56 -18.548 -6.895 -4.474 1.00 0.00 H new ATOM 0 HH21 ARG 1 56 -17.623 -10.224 -3.774 1.00 0.00 H new ATOM 0 HH22 ARG 1 56 -18.827 -9.166 -4.519 1.00 0.00 H new ATOM 552 N PHE 1 57 -11.097 -6.466 -1.273 1.00 0.00 N ATOM 553 CA PHE 1 57 -10.552 -5.222 -0.748 1.00 0.00 C ATOM 554 C PHE 1 57 -9.037 -5.297 -0.779 1.00 0.00 C ATOM 555 O PHE 1 57 -8.356 -4.362 -1.204 1.00 0.00 O ATOM 556 CB PHE 1 57 -11.042 -4.996 0.683 1.00 0.00 C ATOM 557 CG PHE 1 57 -10.641 -3.674 1.273 1.00 0.00 C ATOM 558 CD1 PHE 1 57 -9.311 -3.392 1.538 1.00 0.00 C ATOM 559 CD2 PHE 1 57 -11.598 -2.716 1.569 1.00 0.00 C ATOM 560 CE1 PHE 1 57 -8.942 -2.179 2.086 1.00 0.00 C ATOM 561 CE2 PHE 1 57 -11.236 -1.501 2.118 1.00 0.00 C ATOM 562 CZ PHE 1 57 -9.905 -1.233 2.376 1.00 0.00 C ATOM 0 H PHE 1 57 -11.647 -7.003 -0.602 1.00 0.00 H new ATOM 0 HA PHE 1 57 -10.888 -4.386 -1.361 1.00 0.00 H new ATOM 0 HB2 PHE 1 57 -12.129 -5.073 0.698 1.00 0.00 H new ATOM 0 HB3 PHE 1 57 -10.657 -5.795 1.317 1.00 0.00 H new ATOM 0 HD1 PHE 1 57 -8.554 -4.129 1.314 1.00 0.00 H new ATOM 0 HD2 PHE 1 57 -12.639 -2.922 1.368 1.00 0.00 H new ATOM 0 HE1 PHE 1 57 -7.902 -1.971 2.287 1.00 0.00 H new ATOM 0 HE2 PHE 1 57 -11.991 -0.763 2.345 1.00 0.00 H new ATOM 0 HZ PHE 1 57 -9.618 -0.284 2.804 1.00 0.00 H new ATOM 572 N ARG 1 58 -8.524 -6.439 -0.342 1.00 0.00 N ATOM 573 CA ARG 1 58 -7.097 -6.694 -0.324 1.00 0.00 C ATOM 574 C ARG 1 58 -6.489 -6.471 -1.707 1.00 0.00 C ATOM 575 O ARG 1 58 -5.468 -5.799 -1.848 1.00 0.00 O ATOM 576 CB ARG 1 58 -6.867 -8.133 0.125 1.00 0.00 C ATOM 577 CG ARG 1 58 -6.049 -8.255 1.391 1.00 0.00 C ATOM 578 CD ARG 1 58 -6.887 -7.963 2.624 1.00 0.00 C ATOM 579 NE ARG 1 58 -7.656 -9.130 3.051 1.00 0.00 N ATOM 580 CZ ARG 1 58 -8.246 -9.235 4.239 1.00 0.00 C ATOM 581 NH1 ARG 1 58 -8.158 -8.247 5.121 1.00 0.00 N ATOM 582 NH2 ARG 1 58 -8.926 -10.331 4.547 1.00 0.00 N ATOM 0 H ARG 1 58 -9.089 -7.212 0.009 1.00 0.00 H new ATOM 0 HA ARG 1 58 -6.614 -6.004 0.368 1.00 0.00 H new ATOM 0 HB2 ARG 1 58 -7.833 -8.614 0.280 1.00 0.00 H new ATOM 0 HB3 ARG 1 58 -6.365 -8.677 -0.675 1.00 0.00 H new ATOM 0 HG2 ARG 1 58 -5.633 -9.260 1.462 1.00 0.00 H new ATOM 0 HG3 ARG 1 58 -5.207 -7.564 1.350 1.00 0.00 H new ATOM 0 HD2 ARG 1 58 -6.236 -7.640 3.437 1.00 0.00 H new ATOM 0 HD3 ARG 1 58 -7.567 -7.138 2.413 1.00 0.00 H new ATOM 0 HE ARG 1 58 -7.746 -9.910 2.400 1.00 0.00 H new ATOM 0 HH11 ARG 1 58 -7.636 -7.402 4.890 1.00 0.00 H new ATOM 0 HH12 ARG 1 58 -8.612 -8.333 6.030 1.00 0.00 H new ATOM 0 HH21 ARG 1 58 -8.997 -11.094 3.873 1.00 0.00 H new ATOM 0 HH22 ARG 1 58 -9.378 -10.412 5.458 1.00 0.00 H new ATOM 596 N ALA 1 59 -7.129 -7.044 -2.723 1.00 0.00 N ATOM 597 CA ALA 1 59 -6.659 -6.914 -4.097 1.00 0.00 C ATOM 598 C ALA 1 59 -6.583 -5.451 -4.515 1.00 0.00 C ATOM 599 O ALA 1 59 -5.599 -5.017 -5.112 1.00 0.00 O ATOM 600 CB ALA 1 59 -7.569 -7.688 -5.040 1.00 0.00 C ATOM 0 H ALA 1 59 -7.976 -7.603 -2.619 1.00 0.00 H new ATOM 0 HA ALA 1 59 -5.654 -7.333 -4.153 1.00 0.00 H new ATOM 0 HB1 ALA 1 59 -7.207 -7.583 -6.063 1.00 0.00 H new ATOM 0 HB2 ALA 1 59 -7.569 -8.742 -4.762 1.00 0.00 H new ATOM 0 HB3 ALA 1 59 -8.583 -7.294 -4.972 1.00 0.00 H new ATOM 606 N ARG 1 60 -7.628 -4.692 -4.196 1.00 0.00 N ATOM 607 CA ARG 1 60 -7.675 -3.274 -4.536 1.00 0.00 C ATOM 608 C ARG 1 60 -6.451 -2.549 -3.990 1.00 0.00 C ATOM 609 O ARG 1 60 -5.766 -1.831 -4.718 1.00 0.00 O ATOM 610 CB ARG 1 60 -8.952 -2.637 -3.985 1.00 0.00 C ATOM 611 CG ARG 1 60 -10.093 -2.598 -4.988 1.00 0.00 C ATOM 612 CD ARG 1 60 -10.879 -3.899 -4.988 1.00 0.00 C ATOM 613 NE ARG 1 60 -11.790 -3.988 -6.127 1.00 0.00 N ATOM 614 CZ ARG 1 60 -12.322 -5.128 -6.563 1.00 0.00 C ATOM 615 NH1 ARG 1 60 -12.038 -6.275 -5.958 1.00 0.00 N ATOM 616 NH2 ARG 1 60 -13.141 -5.121 -7.606 1.00 0.00 N ATOM 0 H ARG 1 60 -8.452 -5.035 -3.703 1.00 0.00 H new ATOM 0 HA ARG 1 60 -7.676 -3.183 -5.622 1.00 0.00 H new ATOM 0 HB2 ARG 1 60 -9.273 -3.191 -3.103 1.00 0.00 H new ATOM 0 HB3 ARG 1 60 -8.730 -1.621 -3.660 1.00 0.00 H new ATOM 0 HG2 ARG 1 60 -10.760 -1.769 -4.750 1.00 0.00 H new ATOM 0 HG3 ARG 1 60 -9.696 -2.412 -5.986 1.00 0.00 H new ATOM 0 HD2 ARG 1 60 -10.187 -4.741 -5.011 1.00 0.00 H new ATOM 0 HD3 ARG 1 60 -11.448 -3.979 -4.062 1.00 0.00 H new ATOM 0 HE ARG 1 60 -12.032 -3.127 -6.617 1.00 0.00 H new ATOM 0 HH11 ARG 1 60 -11.409 -6.286 -5.155 1.00 0.00 H new ATOM 0 HH12 ARG 1 60 -12.448 -7.145 -6.296 1.00 0.00 H new ATOM 0 HH21 ARG 1 60 -13.363 -4.242 -8.074 1.00 0.00 H new ATOM 0 HH22 ARG 1 60 -13.549 -5.994 -7.940 1.00 0.00 H new ATOM 630 N VAL 1 61 -6.175 -2.750 -2.706 1.00 0.00 N ATOM 631 CA VAL 1 61 -5.023 -2.123 -2.070 1.00 0.00 C ATOM 632 C VAL 1 61 -3.733 -2.653 -2.683 1.00 0.00 C ATOM 633 O VAL 1 61 -2.782 -1.904 -2.906 1.00 0.00 O ATOM 634 CB VAL 1 61 -4.993 -2.367 -0.546 1.00 0.00 C ATOM 635 CG1 VAL 1 61 -4.134 -1.321 0.147 1.00 0.00 C ATOM 636 CG2 VAL 1 61 -6.401 -2.380 0.032 1.00 0.00 C ATOM 0 H VAL 1 61 -6.731 -3.340 -2.087 1.00 0.00 H new ATOM 0 HA VAL 1 61 -5.110 -1.050 -2.240 1.00 0.00 H new ATOM 0 HB VAL 1 61 -4.549 -3.347 -0.368 1.00 0.00 H new ATOM 0 HG11 VAL 1 61 -4.126 -1.510 1.220 1.00 0.00 H new ATOM 0 HG12 VAL 1 61 -3.116 -1.373 -0.239 1.00 0.00 H new ATOM 0 HG13 VAL 1 61 -4.544 -0.329 -0.043 1.00 0.00 H new ATOM 0 HG21 VAL 1 61 -6.351 -2.554 1.107 1.00 0.00 H new ATOM 0 HG22 VAL 1 61 -6.881 -1.420 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL 1 61 -6.980 -3.175 -0.438 1.00 0.00 H new ATOM 646 N ASP 1 62 -3.717 -3.953 -2.965 1.00 0.00 N ATOM 647 CA ASP 1 62 -2.554 -4.593 -3.567 1.00 0.00 C ATOM 648 C ASP 1 62 -2.281 -4.006 -4.945 1.00 0.00 C ATOM 649 O ASP 1 62 -1.161 -3.597 -5.250 1.00 0.00 O ATOM 650 CB ASP 1 62 -2.778 -6.103 -3.679 1.00 0.00 C ATOM 651 CG ASP 1 62 -1.561 -6.904 -3.263 1.00 0.00 C ATOM 652 OD1 ASP 1 62 -0.451 -6.589 -3.741 1.00 0.00 O ATOM 653 OD2 ASP 1 62 -1.717 -7.847 -2.459 1.00 0.00 O ATOM 0 H ASP 1 62 -4.498 -4.584 -2.785 1.00 0.00 H new ATOM 0 HA ASP 1 62 -1.690 -4.410 -2.928 1.00 0.00 H new ATOM 0 HB2 ASP 1 62 -3.626 -6.388 -3.057 1.00 0.00 H new ATOM 0 HB3 ASP 1 62 -3.039 -6.353 -4.707 1.00 0.00 H new ATOM 658 N ASP 1 63 -3.320 -3.966 -5.771 1.00 0.00 N ATOM 659 CA ASP 1 63 -3.209 -3.426 -7.118 1.00 0.00 C ATOM 660 C ASP 1 63 -2.799 -1.960 -7.074 1.00 0.00 C ATOM 661 O ASP 1 63 -1.922 -1.527 -7.822 1.00 0.00 O ATOM 662 CB ASP 1 63 -4.541 -3.577 -7.855 1.00 0.00 C ATOM 663 CG ASP 1 63 -4.372 -3.576 -9.362 1.00 0.00 C ATOM 664 OD1 ASP 1 63 -3.984 -2.526 -9.916 1.00 0.00 O ATOM 665 OD2 ASP 1 63 -4.629 -4.626 -9.988 1.00 0.00 O ATOM 0 H ASP 1 63 -4.252 -4.303 -5.529 1.00 0.00 H new ATOM 0 HA ASP 1 63 -2.441 -3.984 -7.653 1.00 0.00 H new ATOM 0 HB2 ASP 1 63 -5.020 -4.506 -7.547 1.00 0.00 H new ATOM 0 HB3 ASP 1 63 -5.207 -2.764 -7.566 1.00 0.00 H new ATOM 670 N ALA 1 64 -3.436 -1.201 -6.187 1.00 0.00 N ATOM 671 CA ALA 1 64 -3.133 0.218 -6.040 1.00 0.00 C ATOM 672 C ALA 1 64 -1.649 0.424 -5.769 1.00 0.00 C ATOM 673 O ALA 1 64 -0.987 1.211 -6.446 1.00 0.00 O ATOM 674 CB ALA 1 64 -3.968 0.826 -4.923 1.00 0.00 C ATOM 0 H ALA 1 64 -4.164 -1.545 -5.560 1.00 0.00 H new ATOM 0 HA ALA 1 64 -3.384 0.722 -6.973 1.00 0.00 H new ATOM 0 HB1 ALA 1 64 -3.730 1.885 -4.826 1.00 0.00 H new ATOM 0 HB2 ALA 1 64 -5.027 0.712 -5.157 1.00 0.00 H new ATOM 0 HB3 ALA 1 64 -3.747 0.317 -3.985 1.00 0.00 H new ATOM 680 N ILE 1 65 -1.129 -0.299 -4.784 1.00 0.00 N ATOM 681 CA ILE 1 65 0.280 -0.208 -4.433 1.00 0.00 C ATOM 682 C ILE 1 65 1.151 -0.568 -5.626 1.00 0.00 C ATOM 683 O ILE 1 65 1.978 0.222 -6.061 1.00 0.00 O ATOM 684 CB ILE 1 65 0.629 -1.145 -3.260 1.00 0.00 C ATOM 685 CG1 ILE 1 65 -0.124 -0.714 -2.001 1.00 0.00 C ATOM 686 CG2 ILE 1 65 2.132 -1.159 -3.005 1.00 0.00 C ATOM 687 CD1 ILE 1 65 -0.656 -1.872 -1.187 1.00 0.00 C ATOM 0 H ILE 1 65 -1.664 -0.955 -4.215 1.00 0.00 H new ATOM 0 HA ILE 1 65 0.472 0.822 -4.132 1.00 0.00 H new ATOM 0 HB ILE 1 65 0.322 -2.157 -3.524 1.00 0.00 H new ATOM 0 HG12 ILE 1 65 0.541 -0.117 -1.377 1.00 0.00 H new ATOM 0 HG13 ILE 1 65 -0.955 -0.070 -2.288 1.00 0.00 H new ATOM 0 HG21 ILE 1 65 2.354 -1.827 -2.173 1.00 0.00 H new ATOM 0 HG22 ILE 1 65 2.649 -1.508 -3.899 1.00 0.00 H new ATOM 0 HG23 ILE 1 65 2.469 -0.152 -2.761 1.00 0.00 H new ATOM 0 HD11 ILE 1 65 -1.178 -1.490 -0.310 1.00 0.00 H new ATOM 0 HD12 ILE 1 65 -1.347 -2.457 -1.795 1.00 0.00 H new ATOM 0 HD13 ILE 1 65 0.173 -2.505 -0.869 1.00 0.00 H new ATOM 699 N ARG 1 66 0.955 -1.771 -6.145 1.00 0.00 N ATOM 700 CA ARG 1 66 1.721 -2.250 -7.286 1.00 0.00 C ATOM 701 C ARG 1 66 1.624 -1.280 -8.459 1.00 0.00 C ATOM 702 O ARG 1 66 2.601 -1.059 -9.171 1.00 0.00 O ATOM 703 CB ARG 1 66 1.213 -3.629 -7.705 1.00 0.00 C ATOM 704 CG ARG 1 66 2.080 -4.306 -8.751 1.00 0.00 C ATOM 705 CD ARG 1 66 1.639 -5.739 -8.997 1.00 0.00 C ATOM 706 NE ARG 1 66 1.766 -6.565 -7.798 1.00 0.00 N ATOM 707 CZ ARG 1 66 1.153 -7.735 -7.635 1.00 0.00 C ATOM 708 NH1 ARG 1 66 0.370 -8.221 -8.590 1.00 0.00 N ATOM 709 NH2 ARG 1 66 1.323 -8.422 -6.514 1.00 0.00 N ATOM 0 H ARG 1 66 0.268 -2.437 -5.792 1.00 0.00 H new ATOM 0 HA ARG 1 66 2.768 -2.321 -6.992 1.00 0.00 H new ATOM 0 HB2 ARG 1 66 1.155 -4.268 -6.824 1.00 0.00 H new ATOM 0 HB3 ARG 1 66 0.200 -3.530 -8.094 1.00 0.00 H new ATOM 0 HG2 ARG 1 66 2.032 -3.744 -9.684 1.00 0.00 H new ATOM 0 HG3 ARG 1 66 3.120 -4.295 -8.425 1.00 0.00 H new ATOM 0 HD2 ARG 1 66 0.602 -5.746 -9.334 1.00 0.00 H new ATOM 0 HD3 ARG 1 66 2.238 -6.170 -9.799 1.00 0.00 H new ATOM 0 HE ARG 1 66 2.359 -6.225 -7.041 1.00 0.00 H new ATOM 0 HH11 ARG 1 66 0.235 -7.697 -9.455 1.00 0.00 H new ATOM 0 HH12 ARG 1 66 -0.097 -9.118 -8.459 1.00 0.00 H new ATOM 0 HH21 ARG 1 66 1.924 -8.054 -5.776 1.00 0.00 H new ATOM 0 HH22 ARG 1 66 0.853 -9.319 -6.389 1.00 0.00 H new ATOM 723 N GLU 1 67 0.446 -0.695 -8.652 1.00 0.00 N ATOM 724 CA GLU 1 67 0.245 0.260 -9.735 1.00 0.00 C ATOM 725 C GLU 1 67 1.160 1.459 -9.543 1.00 0.00 C ATOM 726 O GLU 1 67 2.010 1.747 -10.386 1.00 0.00 O ATOM 727 CB GLU 1 67 -1.216 0.713 -9.790 1.00 0.00 C ATOM 728 CG GLU 1 67 -2.139 -0.292 -10.459 1.00 0.00 C ATOM 729 CD GLU 1 67 -2.368 0.013 -11.926 1.00 0.00 C ATOM 730 OE1 GLU 1 67 -1.558 -0.443 -12.761 1.00 0.00 O ATOM 731 OE2 GLU 1 67 -3.357 0.708 -12.241 1.00 0.00 O ATOM 0 H GLU 1 67 -0.379 -0.864 -8.076 1.00 0.00 H new ATOM 0 HA GLU 1 67 0.489 -0.227 -10.679 1.00 0.00 H new ATOM 0 HB2 GLU 1 67 -1.569 0.899 -8.775 1.00 0.00 H new ATOM 0 HB3 GLU 1 67 -1.274 1.660 -10.326 1.00 0.00 H new ATOM 0 HG2 GLU 1 67 -1.714 -1.291 -10.362 1.00 0.00 H new ATOM 0 HG3 GLU 1 67 -3.097 -0.301 -9.940 1.00 0.00 H new ATOM 738 N GLY 1 68 1.001 2.140 -8.413 1.00 0.00 N ATOM 739 CA GLY 1 68 1.843 3.279 -8.121 1.00 0.00 C ATOM 740 C GLY 1 68 3.287 2.859 -7.956 1.00 0.00 C ATOM 741 O GLY 1 68 4.204 3.562 -8.375 1.00 0.00 O ATOM 0 H GLY 1 68 0.306 1.923 -7.698 1.00 0.00 H new ATOM 0 HA2 GLY 1 68 1.763 4.010 -8.925 1.00 0.00 H new ATOM 0 HA3 GLY 1 68 1.497 3.768 -7.210 1.00 0.00 H new ATOM 745 N LEU 1 69 3.479 1.689 -7.354 1.00 0.00 N ATOM 746 CA LEU 1 69 4.808 1.136 -7.134 1.00 0.00 C ATOM 747 C LEU 1 69 5.455 0.788 -8.465 1.00 0.00 C ATOM 748 O LEU 1 69 6.672 0.883 -8.624 1.00 0.00 O ATOM 749 CB LEU 1 69 4.724 -0.115 -6.233 1.00 0.00 C ATOM 750 CG LEU 1 69 4.532 0.153 -4.729 1.00 0.00 C ATOM 751 CD1 LEU 1 69 5.057 -1.019 -3.916 1.00 0.00 C ATOM 752 CD2 LEU 1 69 5.227 1.441 -4.299 1.00 0.00 C ATOM 0 H LEU 1 69 2.721 1.101 -7.007 1.00 0.00 H new ATOM 0 HA LEU 1 69 5.422 1.884 -6.632 1.00 0.00 H new ATOM 0 HB2 LEU 1 69 3.897 -0.735 -6.581 1.00 0.00 H new ATOM 0 HB3 LEU 1 69 5.636 -0.697 -6.365 1.00 0.00 H new ATOM 0 HG LEU 1 69 3.464 0.269 -4.544 1.00 0.00 H new ATOM 0 HD11 LEU 1 69 4.916 -0.818 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU 1 69 4.514 -1.924 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU 1 69 6.119 -1.157 -4.121 1.00 0.00 H new ATOM 0 HD21 LEU 1 69 5.071 1.600 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU 1 69 6.295 1.363 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU 1 69 4.812 2.282 -4.855 1.00 0.00 H new ATOM 764 N LYS 1 70 4.626 0.400 -9.425 1.00 0.00 N ATOM 765 CA LYS 1 70 5.105 0.048 -10.751 1.00 0.00 C ATOM 766 C LYS 1 70 5.593 1.291 -11.493 1.00 0.00 C ATOM 767 O LYS 1 70 6.417 1.201 -12.403 1.00 0.00 O ATOM 768 CB LYS 1 70 3.996 -0.648 -11.550 1.00 0.00 C ATOM 769 CG LYS 1 70 4.275 -0.737 -13.043 1.00 0.00 C ATOM 770 CD LYS 1 70 3.336 -1.713 -13.733 1.00 0.00 C ATOM 771 CE LYS 1 70 3.791 -3.151 -13.549 1.00 0.00 C ATOM 772 NZ LYS 1 70 3.420 -4.004 -14.711 1.00 0.00 N ATOM 0 H LYS 1 70 3.616 0.322 -9.308 1.00 0.00 H new ATOM 0 HA LYS 1 70 5.943 -0.640 -10.643 1.00 0.00 H new ATOM 0 HB2 LYS 1 70 3.855 -1.654 -11.156 1.00 0.00 H new ATOM 0 HB3 LYS 1 70 3.060 -0.111 -11.397 1.00 0.00 H new ATOM 0 HG2 LYS 1 70 4.168 0.250 -13.493 1.00 0.00 H new ATOM 0 HG3 LYS 1 70 5.307 -1.050 -13.202 1.00 0.00 H new ATOM 0 HD2 LYS 1 70 2.329 -1.595 -13.332 1.00 0.00 H new ATOM 0 HD3 LYS 1 70 3.285 -1.480 -14.797 1.00 0.00 H new ATOM 0 HE2 LYS 1 70 4.872 -3.175 -13.412 1.00 0.00 H new ATOM 0 HE3 LYS 1 70 3.345 -3.559 -12.642 1.00 0.00 H new ATOM 0 HZ1 LYS 1 70 3.748 -4.977 -14.546 1.00 0.00 H new ATOM 0 HZ2 LYS 1 70 2.386 -4.002 -14.827 1.00 0.00 H new ATOM 0 HZ3 LYS 1 70 3.866 -3.630 -15.573 1.00 0.00 H new ATOM 786 N ALA 1 71 5.066 2.447 -11.105 1.00 0.00 N ATOM 787 CA ALA 1 71 5.432 3.708 -11.737 1.00 0.00 C ATOM 788 C ALA 1 71 6.615 4.384 -11.044 1.00 0.00 C ATOM 789 O ALA 1 71 7.086 5.428 -11.497 1.00 0.00 O ATOM 790 CB ALA 1 71 4.231 4.642 -11.763 1.00 0.00 C ATOM 0 H ALA 1 71 4.382 2.536 -10.354 1.00 0.00 H new ATOM 0 HA ALA 1 71 5.745 3.484 -12.757 1.00 0.00 H new ATOM 0 HB1 ALA 1 71 4.512 5.583 -12.237 1.00 0.00 H new ATOM 0 HB2 ALA 1 71 3.422 4.179 -12.328 1.00 0.00 H new ATOM 0 HB3 ALA 1 71 3.898 4.835 -10.743 1.00 0.00 H new ATOM 796 N LEU 1 72 7.086 3.808 -9.941 1.00 0.00 N ATOM 797 CA LEU 1 72 8.202 4.394 -9.203 1.00 0.00 C ATOM 798 C LEU 1 72 9.461 3.537 -9.280 1.00 0.00 C ATOM 799 O LEU 1 72 10.450 3.822 -8.604 1.00 0.00 O ATOM 800 CB LEU 1 72 7.803 4.617 -7.748 1.00 0.00 C ATOM 801 CG LEU 1 72 6.407 5.204 -7.569 1.00 0.00 C ATOM 802 CD1 LEU 1 72 5.719 4.593 -6.364 1.00 0.00 C ATOM 803 CD2 LEU 1 72 6.475 6.718 -7.440 1.00 0.00 C ATOM 0 H LEU 1 72 6.717 2.945 -9.541 1.00 0.00 H new ATOM 0 HA LEU 1 72 8.436 5.351 -9.669 1.00 0.00 H new ATOM 0 HB2 LEU 1 72 7.857 3.666 -7.218 1.00 0.00 H new ATOM 0 HB3 LEU 1 72 8.528 5.283 -7.281 1.00 0.00 H new ATOM 0 HG LEU 1 72 5.819 4.963 -8.454 1.00 0.00 H new ATOM 0 HD11 LEU 1 72 4.725 5.026 -6.255 1.00 0.00 H new ATOM 0 HD12 LEU 1 72 5.633 3.515 -6.502 1.00 0.00 H new ATOM 0 HD13 LEU 1 72 6.305 4.798 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU 1 72 5.469 7.118 -7.313 1.00 0.00 H new ATOM 0 HD22 LEU 1 72 7.082 6.982 -6.574 1.00 0.00 H new ATOM 0 HD23 LEU 1 72 6.922 7.140 -8.340 1.00 0.00 H new ATOM 815 N GLY 1 73 9.436 2.505 -10.117 1.00 0.00 N ATOM 816 CA GLY 1 73 10.609 1.658 -10.263 1.00 0.00 C ATOM 817 C GLY 1 73 10.352 0.182 -10.024 1.00 0.00 C ATOM 818 O GLY 1 73 11.290 -0.615 -10.045 1.00 0.00 O ATOM 0 H GLY 1 73 8.636 2.241 -10.691 1.00 0.00 H new ATOM 0 HA2 GLY 1 73 11.011 1.786 -11.268 1.00 0.00 H new ATOM 0 HA3 GLY 1 73 11.376 1.998 -9.567 1.00 0.00 H new ATOM 822 N TYR 1 74 9.101 -0.201 -9.793 1.00 0.00 N ATOM 823 CA TYR 1 74 8.789 -1.602 -9.551 1.00 0.00 C ATOM 824 C TYR 1 74 7.868 -2.168 -10.625 1.00 0.00 C ATOM 825 O TYR 1 74 7.364 -1.438 -11.476 1.00 0.00 O ATOM 826 CB TYR 1 74 8.175 -1.761 -8.165 1.00 0.00 C ATOM 827 CG TYR 1 74 9.174 -1.500 -7.063 1.00 0.00 C ATOM 828 CD1 TYR 1 74 10.428 -2.093 -7.092 1.00 0.00 C ATOM 829 CD2 TYR 1 74 8.875 -0.649 -6.010 1.00 0.00 C ATOM 830 CE1 TYR 1 74 11.358 -1.845 -6.101 1.00 0.00 C ATOM 831 CE2 TYR 1 74 9.800 -0.397 -5.013 1.00 0.00 C ATOM 832 CZ TYR 1 74 11.039 -0.996 -5.064 1.00 0.00 C ATOM 833 OH TYR 1 74 11.963 -0.745 -4.075 1.00 0.00 O ATOM 0 H TYR 1 74 8.299 0.429 -9.769 1.00 0.00 H new ATOM 0 HA TYR 1 74 9.717 -2.172 -9.596 1.00 0.00 H new ATOM 0 HB2 TYR 1 74 7.335 -1.074 -8.061 1.00 0.00 H new ATOM 0 HB3 TYR 1 74 7.777 -2.770 -8.060 1.00 0.00 H new ATOM 0 HD1 TYR 1 74 10.681 -2.760 -7.903 1.00 0.00 H new ATOM 0 HD2 TYR 1 74 7.905 -0.176 -5.968 1.00 0.00 H new ATOM 0 HE1 TYR 1 74 12.330 -2.314 -6.139 1.00 0.00 H new ATOM 0 HE2 TYR 1 74 9.552 0.267 -4.198 1.00 0.00 H new ATOM 0 HH TYR 1 74 11.581 -0.125 -3.420 1.00 0.00 H new ATOM 843 N TYR 1 75 7.671 -3.481 -10.589 1.00 0.00 N ATOM 844 CA TYR 1 75 6.821 -4.155 -11.560 1.00 0.00 C ATOM 845 C TYR 1 75 5.682 -4.889 -10.864 1.00 0.00 C ATOM 846 O TYR 1 75 4.517 -4.732 -11.228 1.00 0.00 O ATOM 847 CB TYR 1 75 7.646 -5.132 -12.402 1.00 0.00 C ATOM 848 CG TYR 1 75 7.879 -4.664 -13.821 1.00 0.00 C ATOM 849 CD1 TYR 1 75 7.942 -3.309 -14.125 1.00 0.00 C ATOM 850 CD2 TYR 1 75 8.036 -5.576 -14.857 1.00 0.00 C ATOM 851 CE1 TYR 1 75 8.154 -2.877 -15.420 1.00 0.00 C ATOM 852 CE2 TYR 1 75 8.250 -5.151 -16.155 1.00 0.00 C ATOM 853 CZ TYR 1 75 8.307 -3.801 -16.431 1.00 0.00 C ATOM 854 OH TYR 1 75 8.519 -3.375 -17.722 1.00 0.00 O ATOM 0 H TYR 1 75 8.090 -4.100 -9.895 1.00 0.00 H new ATOM 0 HA TYR 1 75 6.391 -3.401 -12.219 1.00 0.00 H new ATOM 0 HB2 TYR 1 75 8.610 -5.291 -11.918 1.00 0.00 H new ATOM 0 HB3 TYR 1 75 7.138 -6.096 -12.425 1.00 0.00 H new ATOM 0 HD1 TYR 1 75 7.823 -2.582 -13.335 1.00 0.00 H new ATOM 0 HD2 TYR 1 75 7.990 -6.634 -14.645 1.00 0.00 H new ATOM 0 HE1 TYR 1 75 8.200 -1.820 -15.639 1.00 0.00 H new ATOM 0 HE2 TYR 1 75 8.372 -5.873 -16.949 1.00 0.00 H new ATOM 0 HH TYR 1 75 8.607 -4.152 -18.313 1.00 0.00 H new ATOM 864 N GLN 1 76 6.020 -5.688 -9.857 1.00 0.00 N ATOM 865 CA GLN 1 76 5.011 -6.433 -9.117 1.00 0.00 C ATOM 866 C GLN 1 76 5.465 -6.723 -7.686 1.00 0.00 C ATOM 867 O GLN 1 76 5.468 -7.875 -7.251 1.00 0.00 O ATOM 868 CB GLN 1 76 4.690 -7.744 -9.838 1.00 0.00 C ATOM 869 CG GLN 1 76 5.917 -8.463 -10.374 1.00 0.00 C ATOM 870 CD GLN 1 76 5.564 -9.697 -11.181 1.00 0.00 C ATOM 871 OE1 GLN 1 76 4.439 -9.837 -11.661 1.00 0.00 O ATOM 872 NE2 GLN 1 76 6.526 -10.599 -11.334 1.00 0.00 N ATOM 0 H GLN 1 76 6.977 -5.835 -9.537 1.00 0.00 H new ATOM 0 HA GLN 1 76 4.113 -5.817 -9.067 1.00 0.00 H new ATOM 0 HB2 GLN 1 76 4.163 -8.406 -9.151 1.00 0.00 H new ATOM 0 HB3 GLN 1 76 4.011 -7.537 -10.665 1.00 0.00 H new ATOM 0 HG2 GLN 1 76 6.491 -7.778 -10.997 1.00 0.00 H new ATOM 0 HG3 GLN 1 76 6.558 -8.750 -9.541 1.00 0.00 H new ATOM 0 HE21 GLN 1 76 7.444 -10.441 -10.918 1.00 0.00 H new ATOM 0 HE22 GLN 1 76 6.347 -11.450 -11.867 1.00 0.00 H new ATOM 881 N PRO 1 77 5.846 -5.680 -6.924 1.00 0.00 N ATOM 882 CA PRO 1 77 6.286 -5.843 -5.537 1.00 0.00 C ATOM 883 C PRO 1 77 5.324 -6.692 -4.721 1.00 0.00 C ATOM 884 O PRO 1 77 4.126 -6.414 -4.678 1.00 0.00 O ATOM 885 CB PRO 1 77 6.297 -4.412 -4.999 1.00 0.00 C ATOM 886 CG PRO 1 77 6.542 -3.562 -6.190 1.00 0.00 C ATOM 887 CD PRO 1 77 5.876 -4.265 -7.347 1.00 0.00 C ATOM 0 HA PRO 1 77 7.248 -6.351 -5.476 1.00 0.00 H new ATOM 0 HB2 PRO 1 77 5.349 -4.161 -4.522 1.00 0.00 H new ATOM 0 HB3 PRO 1 77 7.077 -4.277 -4.249 1.00 0.00 H new ATOM 0 HG2 PRO 1 77 6.127 -2.564 -6.049 1.00 0.00 H new ATOM 0 HG3 PRO 1 77 7.610 -3.441 -6.370 1.00 0.00 H new ATOM 0 HD2 PRO 1 77 4.873 -3.879 -7.527 1.00 0.00 H new ATOM 0 HD3 PRO 1 77 6.438 -4.135 -8.272 1.00 0.00 H new ATOM 895 N THR 1 78 5.847 -7.719 -4.058 1.00 0.00 N ATOM 896 CA THR 1 78 5.006 -8.573 -3.236 1.00 0.00 C ATOM 897 C THR 1 78 4.423 -7.752 -2.096 1.00 0.00 C ATOM 898 O THR 1 78 5.116 -7.435 -1.131 1.00 0.00 O ATOM 899 CB THR 1 78 5.811 -9.750 -2.683 1.00 0.00 C ATOM 900 OG1 THR 1 78 6.830 -10.131 -3.590 1.00 0.00 O ATOM 901 CG2 THR 1 78 4.966 -10.974 -2.401 1.00 0.00 C ATOM 0 H THR 1 78 6.834 -7.975 -4.074 1.00 0.00 H new ATOM 0 HA THR 1 78 4.197 -8.974 -3.847 1.00 0.00 H new ATOM 0 HB THR 1 78 6.232 -9.395 -1.742 1.00 0.00 H new ATOM 0 HG1 THR 1 78 7.645 -9.621 -3.399 1.00 0.00 H new ATOM 0 HG21 THR 1 78 5.599 -11.771 -2.011 1.00 0.00 H new ATOM 0 HG22 THR 1 78 4.200 -10.726 -1.666 1.00 0.00 H new ATOM 0 HG23 THR 1 78 4.489 -11.307 -3.323 1.00 0.00 H new ATOM 909 N ILE 1 79 3.153 -7.390 -2.226 1.00 0.00 N ATOM 910 CA ILE 1 79 2.489 -6.579 -1.217 1.00 0.00 C ATOM 911 C ILE 1 79 1.386 -7.354 -0.506 1.00 0.00 C ATOM 912 O ILE 1 79 0.315 -7.591 -1.063 1.00 0.00 O ATOM 913 CB ILE 1 79 1.905 -5.296 -1.844 1.00 0.00 C ATOM 914 CG1 ILE 1 79 3.015 -4.510 -2.550 1.00 0.00 C ATOM 915 CG2 ILE 1 79 1.233 -4.438 -0.780 1.00 0.00 C ATOM 916 CD1 ILE 1 79 2.644 -4.023 -3.937 1.00 0.00 C ATOM 0 H ILE 1 79 2.564 -7.645 -3.019 1.00 0.00 H new ATOM 0 HA ILE 1 79 3.242 -6.306 -0.478 1.00 0.00 H new ATOM 0 HB ILE 1 79 1.150 -5.575 -2.579 1.00 0.00 H new ATOM 0 HG12 ILE 1 79 3.284 -3.651 -1.935 1.00 0.00 H new ATOM 0 HG13 ILE 1 79 3.901 -5.140 -2.623 1.00 0.00 H new ATOM 0 HG21 ILE 1 79 0.827 -3.538 -1.241 1.00 0.00 H new ATOM 0 HG22 ILE 1 79 0.425 -5.003 -0.314 1.00 0.00 H new ATOM 0 HG23 ILE 1 79 1.965 -4.159 -0.022 1.00 0.00 H new ATOM 0 HD11 ILE 1 79 3.483 -3.477 -4.367 1.00 0.00 H new ATOM 0 HD12 ILE 1 79 2.404 -4.877 -4.570 1.00 0.00 H new ATOM 0 HD13 ILE 1 79 1.778 -3.365 -3.872 1.00 0.00 H new ATOM 928 N GLU 1 80 1.660 -7.735 0.736 1.00 0.00 N ATOM 929 CA GLU 1 80 0.698 -8.474 1.545 1.00 0.00 C ATOM 930 C GLU 1 80 -0.051 -7.527 2.476 1.00 0.00 C ATOM 931 O GLU 1 80 0.270 -6.340 2.551 1.00 0.00 O ATOM 932 CB GLU 1 80 1.406 -9.557 2.361 1.00 0.00 C ATOM 933 CG GLU 1 80 2.099 -10.607 1.507 1.00 0.00 C ATOM 934 CD GLU 1 80 1.905 -12.013 2.040 1.00 0.00 C ATOM 935 OE1 GLU 1 80 0.841 -12.280 2.637 1.00 0.00 O ATOM 936 OE2 GLU 1 80 2.818 -12.847 1.860 1.00 0.00 O ATOM 0 H GLU 1 80 2.544 -7.543 1.207 1.00 0.00 H new ATOM 0 HA GLU 1 80 -0.019 -8.951 0.876 1.00 0.00 H new ATOM 0 HB2 GLU 1 80 2.143 -9.086 3.012 1.00 0.00 H new ATOM 0 HB3 GLU 1 80 0.678 -10.048 3.006 1.00 0.00 H new ATOM 0 HG2 GLU 1 80 1.715 -10.552 0.488 1.00 0.00 H new ATOM 0 HG3 GLU 1 80 3.165 -10.385 1.458 1.00 0.00 H new ATOM 943 N PHE 1 81 -1.050 -8.048 3.180 1.00 0.00 N ATOM 944 CA PHE 1 81 -1.834 -7.226 4.094 1.00 0.00 C ATOM 945 C PHE 1 81 -2.242 -7.995 5.345 1.00 0.00 C ATOM 946 O PHE 1 81 -2.317 -9.224 5.341 1.00 0.00 O ATOM 947 CB PHE 1 81 -3.083 -6.696 3.391 1.00 0.00 C ATOM 948 CG PHE 1 81 -2.789 -5.922 2.140 1.00 0.00 C ATOM 949 CD1 PHE 1 81 -2.335 -4.615 2.210 1.00 0.00 C ATOM 950 CD2 PHE 1 81 -2.969 -6.500 0.895 1.00 0.00 C ATOM 951 CE1 PHE 1 81 -2.065 -3.899 1.060 1.00 0.00 C ATOM 952 CE2 PHE 1 81 -2.702 -5.790 -0.258 1.00 0.00 C ATOM 953 CZ PHE 1 81 -2.249 -4.487 -0.176 1.00 0.00 C ATOM 0 H PHE 1 81 -1.334 -9.027 3.136 1.00 0.00 H new ATOM 0 HA PHE 1 81 -1.202 -6.393 4.401 1.00 0.00 H new ATOM 0 HB2 PHE 1 81 -3.734 -7.535 3.144 1.00 0.00 H new ATOM 0 HB3 PHE 1 81 -3.634 -6.058 4.081 1.00 0.00 H new ATOM 0 HD1 PHE 1 81 -2.191 -4.151 3.174 1.00 0.00 H new ATOM 0 HD2 PHE 1 81 -3.322 -7.518 0.825 1.00 0.00 H new ATOM 0 HE1 PHE 1 81 -1.711 -2.881 1.127 1.00 0.00 H new ATOM 0 HE2 PHE 1 81 -2.847 -6.252 -1.223 1.00 0.00 H new ATOM 0 HZ PHE 1 81 -2.039 -3.930 -1.077 1.00 0.00 H new ATOM 963 N ASP 1 82 -2.519 -7.249 6.408 1.00 0.00 N ATOM 964 CA ASP 1 82 -2.942 -7.830 7.676 1.00 0.00 C ATOM 965 C ASP 1 82 -3.936 -6.902 8.364 1.00 0.00 C ATOM 966 O ASP 1 82 -3.548 -5.962 9.059 1.00 0.00 O ATOM 967 CB ASP 1 82 -1.734 -8.073 8.583 1.00 0.00 C ATOM 968 CG ASP 1 82 -2.119 -8.721 9.899 1.00 0.00 C ATOM 969 OD1 ASP 1 82 -2.949 -9.654 9.881 1.00 0.00 O ATOM 970 OD2 ASP 1 82 -1.591 -8.294 10.947 1.00 0.00 O ATOM 0 H ASP 1 82 -2.457 -6.231 6.416 1.00 0.00 H new ATOM 0 HA ASP 1 82 -3.424 -8.788 7.479 1.00 0.00 H new ATOM 0 HB2 ASP 1 82 -1.016 -8.709 8.065 1.00 0.00 H new ATOM 0 HB3 ASP 1 82 -1.235 -7.124 8.781 1.00 0.00 H new ATOM 975 N LEU 1 83 -5.220 -7.160 8.148 1.00 0.00 N ATOM 976 CA LEU 1 83 -6.275 -6.337 8.726 1.00 0.00 C ATOM 977 C LEU 1 83 -6.726 -6.870 10.082 1.00 0.00 C ATOM 978 O LEU 1 83 -6.858 -8.078 10.279 1.00 0.00 O ATOM 979 CB LEU 1 83 -7.463 -6.271 7.761 1.00 0.00 C ATOM 980 CG LEU 1 83 -8.743 -5.647 8.324 1.00 0.00 C ATOM 981 CD1 LEU 1 83 -8.787 -4.156 8.029 1.00 0.00 C ATOM 982 CD2 LEU 1 83 -9.965 -6.343 7.745 1.00 0.00 C ATOM 0 H LEU 1 83 -5.556 -7.934 7.576 1.00 0.00 H new ATOM 0 HA LEU 1 83 -5.876 -5.335 8.884 1.00 0.00 H new ATOM 0 HB2 LEU 1 83 -7.161 -5.704 6.881 1.00 0.00 H new ATOM 0 HB3 LEU 1 83 -7.691 -7.283 7.425 1.00 0.00 H new ATOM 0 HG LEU 1 83 -8.747 -5.780 9.406 1.00 0.00 H new ATOM 0 HD11 LEU 1 83 -9.704 -3.731 8.437 1.00 0.00 H new ATOM 0 HD12 LEU 1 83 -7.926 -3.669 8.487 1.00 0.00 H new ATOM 0 HD13 LEU 1 83 -8.762 -3.998 6.951 1.00 0.00 H new ATOM 0 HD21 LEU 1 83 -10.869 -5.890 8.153 1.00 0.00 H new ATOM 0 HD22 LEU 1 83 -9.964 -6.237 6.660 1.00 0.00 H new ATOM 0 HD23 LEU 1 83 -9.939 -7.401 8.006 1.00 0.00 H new ATOM 994 N ARG 1 84 -6.978 -5.948 11.005 1.00 0.00 N ATOM 995 CA ARG 1 84 -7.435 -6.297 12.339 1.00 0.00 C ATOM 996 C ARG 1 84 -8.501 -5.303 12.800 1.00 0.00 C ATOM 997 O ARG 1 84 -8.204 -4.129 13.050 1.00 0.00 O ATOM 998 CB ARG 1 84 -6.265 -6.330 13.327 1.00 0.00 C ATOM 999 CG ARG 1 84 -5.303 -5.178 13.182 1.00 0.00 C ATOM 1000 CD ARG 1 84 -4.290 -5.457 12.097 1.00 0.00 C ATOM 1001 NE ARG 1 84 -3.062 -6.048 12.625 1.00 0.00 N ATOM 1002 CZ ARG 1 84 -2.245 -5.432 13.478 1.00 0.00 C ATOM 1003 NH1 ARG 1 84 -2.517 -4.205 13.902 1.00 0.00 N ATOM 1004 NH2 ARG 1 84 -1.152 -6.047 13.907 1.00 0.00 N ATOM 0 H ARG 1 84 -6.871 -4.946 10.848 1.00 0.00 H new ATOM 0 HA ARG 1 84 -7.873 -7.295 12.307 1.00 0.00 H new ATOM 0 HB2 ARG 1 84 -6.661 -6.333 14.342 1.00 0.00 H new ATOM 0 HB3 ARG 1 84 -5.719 -7.264 13.195 1.00 0.00 H new ATOM 0 HG2 ARG 1 84 -5.853 -4.267 12.946 1.00 0.00 H new ATOM 0 HG3 ARG 1 84 -4.790 -5.005 14.128 1.00 0.00 H new ATOM 0 HD2 ARG 1 84 -4.727 -6.130 11.359 1.00 0.00 H new ATOM 0 HD3 ARG 1 84 -4.050 -4.528 11.579 1.00 0.00 H new ATOM 0 HE ARG 1 84 -2.815 -6.990 12.322 1.00 0.00 H new ATOM 0 HH11 ARG 1 84 -3.356 -3.727 13.575 1.00 0.00 H new ATOM 0 HH12 ARG 1 84 -1.887 -3.740 14.555 1.00 0.00 H new ATOM 0 HH21 ARG 1 84 -0.938 -6.990 13.584 1.00 0.00 H new ATOM 0 HH22 ARG 1 84 -0.525 -5.577 14.560 1.00 0.00 H new ATOM 1018 N PRO 1 85 -9.768 -5.753 12.891 1.00 0.00 N ATOM 1019 CA PRO 1 85 -10.888 -4.898 13.299 1.00 0.00 C ATOM 1020 C PRO 1 85 -10.735 -4.267 14.690 1.00 0.00 C ATOM 1021 O PRO 1 85 -11.339 -3.229 14.949 1.00 0.00 O ATOM 1022 CB PRO 1 85 -12.105 -5.833 13.270 1.00 0.00 C ATOM 1023 CG PRO 1 85 -11.551 -7.216 13.249 1.00 0.00 C ATOM 1024 CD PRO 1 85 -10.216 -7.122 12.571 1.00 0.00 C ATOM 0 HA PRO 1 85 -10.965 -4.041 12.630 1.00 0.00 H new ATOM 0 HB2 PRO 1 85 -12.738 -5.678 14.143 1.00 0.00 H new ATOM 0 HB3 PRO 1 85 -12.722 -5.645 12.391 1.00 0.00 H new ATOM 0 HG2 PRO 1 85 -11.447 -7.609 14.260 1.00 0.00 H new ATOM 0 HG3 PRO 1 85 -12.214 -7.893 12.710 1.00 0.00 H new ATOM 0 HD2 PRO 1 85 -9.520 -7.871 12.948 1.00 0.00 H new ATOM 0 HD3 PRO 1 85 -10.299 -7.277 11.495 1.00 0.00 H new ATOM 1032 N PRO 1 86 -9.969 -4.876 15.625 1.00 0.00 N ATOM 1033 CA PRO 1 86 -9.800 -4.348 16.969 1.00 0.00 C ATOM 1034 C PRO 1 86 -8.464 -3.625 17.179 1.00 0.00 C ATOM 1035 O PRO 1 86 -7.614 -4.096 17.936 1.00 0.00 O ATOM 1036 CB PRO 1 86 -9.841 -5.630 17.796 1.00 0.00 C ATOM 1037 CG PRO 1 86 -9.237 -6.684 16.909 1.00 0.00 C ATOM 1038 CD PRO 1 86 -9.230 -6.136 15.495 1.00 0.00 C ATOM 0 HA PRO 1 86 -10.548 -3.596 17.221 1.00 0.00 H new ATOM 0 HB2 PRO 1 86 -9.275 -5.521 18.721 1.00 0.00 H new ATOM 0 HB3 PRO 1 86 -10.863 -5.887 18.075 1.00 0.00 H new ATOM 0 HG2 PRO 1 86 -8.224 -6.924 17.233 1.00 0.00 H new ATOM 0 HG3 PRO 1 86 -9.815 -7.607 16.960 1.00 0.00 H new ATOM 0 HD2 PRO 1 86 -8.216 -5.973 15.130 1.00 0.00 H new ATOM 0 HD3 PRO 1 86 -9.714 -6.818 14.796 1.00 0.00 H new ATOM 1046 N PRO 1 87 -8.257 -2.466 16.526 1.00 0.00 N ATOM 1047 CA PRO 1 87 -7.018 -1.694 16.670 1.00 0.00 C ATOM 1048 C PRO 1 87 -6.833 -1.168 18.086 1.00 0.00 C ATOM 1049 O PRO 1 87 -7.686 -1.365 18.952 1.00 0.00 O ATOM 1050 CB PRO 1 87 -7.190 -0.528 15.695 1.00 0.00 C ATOM 1051 CG PRO 1 87 -8.659 -0.415 15.493 1.00 0.00 C ATOM 1052 CD PRO 1 87 -9.204 -1.811 15.611 1.00 0.00 C ATOM 0 HA PRO 1 87 -6.139 -2.306 16.465 1.00 0.00 H new ATOM 0 HB2 PRO 1 87 -6.775 0.393 16.103 1.00 0.00 H new ATOM 0 HB3 PRO 1 87 -6.675 -0.720 14.754 1.00 0.00 H new ATOM 0 HG2 PRO 1 87 -9.106 0.242 16.239 1.00 0.00 H new ATOM 0 HG3 PRO 1 87 -8.887 0.011 14.516 1.00 0.00 H new ATOM 0 HD2 PRO 1 87 -10.218 -1.815 16.011 1.00 0.00 H new ATOM 0 HD3 PRO 1 87 -9.241 -2.312 14.644 1.00 0.00 H new ATOM 1060 N LYS 1 88 -5.708 -0.505 18.316 1.00 0.00 N ATOM 1061 CA LYS 1 88 -5.400 0.045 19.629 1.00 0.00 C ATOM 1062 C LYS 1 88 -5.805 1.511 19.744 1.00 0.00 C ATOM 1063 O LYS 1 88 -6.164 1.977 20.826 1.00 0.00 O ATOM 1064 CB LYS 1 88 -3.911 -0.089 19.921 1.00 0.00 C ATOM 1065 CG LYS 1 88 -3.032 0.516 18.846 1.00 0.00 C ATOM 1066 CD LYS 1 88 -2.514 1.890 19.247 1.00 0.00 C ATOM 1067 CE LYS 1 88 -1.004 1.986 19.091 1.00 0.00 C ATOM 1068 NZ LYS 1 88 -0.579 3.327 18.604 1.00 0.00 N ATOM 0 H LYS 1 88 -4.992 -0.335 17.609 1.00 0.00 H new ATOM 0 HA LYS 1 88 -5.976 -0.525 20.358 1.00 0.00 H new ATOM 0 HB2 LYS 1 88 -3.690 0.392 20.874 1.00 0.00 H new ATOM 0 HB3 LYS 1 88 -3.663 -1.145 20.031 1.00 0.00 H new ATOM 0 HG2 LYS 1 88 -2.189 -0.147 18.650 1.00 0.00 H new ATOM 0 HG3 LYS 1 88 -3.597 0.597 17.917 1.00 0.00 H new ATOM 0 HD2 LYS 1 88 -2.993 2.653 18.634 1.00 0.00 H new ATOM 0 HD3 LYS 1 88 -2.787 2.095 20.282 1.00 0.00 H new ATOM 0 HE2 LYS 1 88 -0.527 1.780 20.049 1.00 0.00 H new ATOM 0 HE3 LYS 1 88 -0.662 1.222 18.393 1.00 0.00 H new ATOM 0 HZ1 LYS 1 88 0.457 3.350 18.511 1.00 0.00 H new ATOM 0 HZ2 LYS 1 88 -1.014 3.514 17.678 1.00 0.00 H new ATOM 0 HZ3 LYS 1 88 -0.882 4.055 19.282 1.00 0.00 H new ATOM 1082 N LYS 1 89 -5.718 2.246 18.639 1.00 0.00 N ATOM 1083 CA LYS 1 89 -6.051 3.669 18.651 1.00 0.00 C ATOM 1084 C LYS 1 89 -7.008 4.056 17.535 1.00 0.00 C ATOM 1085 O LYS 1 89 -6.944 5.173 17.020 1.00 0.00 O ATOM 1086 CB LYS 1 89 -4.776 4.505 18.553 1.00 0.00 C ATOM 1087 CG LYS 1 89 -4.992 5.986 18.823 1.00 0.00 C ATOM 1088 CD LYS 1 89 -4.250 6.852 17.817 1.00 0.00 C ATOM 1089 CE LYS 1 89 -5.185 7.389 16.746 1.00 0.00 C ATOM 1090 NZ LYS 1 89 -4.698 8.676 16.178 1.00 0.00 N ATOM 0 H LYS 1 89 -5.423 1.885 17.732 1.00 0.00 H new ATOM 0 HA LYS 1 89 -6.558 3.870 19.595 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -4.044 4.119 19.262 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.349 4.385 17.557 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -6.058 6.212 18.783 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -4.653 6.226 19.831 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -3.772 7.684 18.334 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -3.456 6.269 17.349 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -5.283 6.654 15.947 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -6.179 7.532 17.170 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -5.363 9.009 15.451 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -4.629 9.386 16.935 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -3.761 8.534 15.750 1.00 0.00 H new ATOM 1104 N GLY 1 90 -7.892 3.146 17.157 1.00 0.00 N ATOM 1105 CA GLY 1 90 -8.828 3.458 16.100 1.00 0.00 C ATOM 1106 C GLY 1 90 -9.990 2.488 16.023 1.00 0.00 C ATOM 1107 O GLY 1 90 -10.311 1.811 17.000 1.00 0.00 O ATOM 0 H GLY 1 90 -7.978 2.211 17.556 1.00 0.00 H new ATOM 0 HA2 GLY 1 90 -9.214 4.466 16.252 1.00 0.00 H new ATOM 0 HA3 GLY 1 90 -8.301 3.459 15.146 1.00 0.00 H new ATOM 1111 N ARG 1 91 -10.621 2.423 14.854 1.00 0.00 N ATOM 1112 CA ARG 1 91 -11.751 1.531 14.637 1.00 0.00 C ATOM 1113 C ARG 1 91 -11.281 0.221 14.014 1.00 0.00 C ATOM 1114 O ARG 1 91 -11.523 -0.856 14.552 1.00 0.00 O ATOM 1115 CB ARG 1 91 -12.788 2.200 13.736 1.00 0.00 C ATOM 1116 CG ARG 1 91 -13.796 3.042 14.500 1.00 0.00 C ATOM 1117 CD ARG 1 91 -13.135 4.231 15.180 1.00 0.00 C ATOM 1118 NE ARG 1 91 -13.252 4.163 16.635 1.00 0.00 N ATOM 1119 CZ ARG 1 91 -13.064 5.204 17.443 1.00 0.00 C ATOM 1120 NH1 ARG 1 91 -12.751 6.393 16.943 1.00 0.00 N ATOM 1121 NH2 ARG 1 91 -13.190 5.056 18.754 1.00 0.00 N ATOM 0 H ARG 1 91 -10.366 2.982 14.040 1.00 0.00 H new ATOM 0 HA ARG 1 91 -12.211 1.314 15.601 1.00 0.00 H new ATOM 0 HB2 ARG 1 91 -12.275 2.830 13.010 1.00 0.00 H new ATOM 0 HB3 ARG 1 91 -13.319 1.432 13.173 1.00 0.00 H new ATOM 0 HG2 ARG 1 91 -14.567 3.396 13.816 1.00 0.00 H new ATOM 0 HG3 ARG 1 91 -14.293 2.425 15.248 1.00 0.00 H new ATOM 0 HD2 ARG 1 91 -12.082 4.268 14.902 1.00 0.00 H new ATOM 0 HD3 ARG 1 91 -13.592 5.154 14.822 1.00 0.00 H new ATOM 0 HE ARG 1 91 -13.492 3.265 17.056 1.00 0.00 H new ATOM 0 HH11 ARG 1 91 -12.653 6.513 15.935 1.00 0.00 H new ATOM 0 HH12 ARG 1 91 -12.608 7.187 17.567 1.00 0.00 H new ATOM 0 HH21 ARG 1 91 -13.431 4.145 19.144 1.00 0.00 H new ATOM 0 HH22 ARG 1 91 -13.046 5.853 19.373 1.00 0.00 H new ATOM 1135 N GLN 1 92 -10.599 0.331 12.880 1.00 0.00 N ATOM 1136 CA GLN 1 92 -10.071 -0.833 12.176 1.00 0.00 C ATOM 1137 C GLN 1 92 -8.771 -0.466 11.468 1.00 0.00 C ATOM 1138 O GLN 1 92 -8.645 0.636 10.935 1.00 0.00 O ATOM 1139 CB GLN 1 92 -11.091 -1.353 11.159 1.00 0.00 C ATOM 1140 CG GLN 1 92 -12.338 -1.946 11.795 1.00 0.00 C ATOM 1141 CD GLN 1 92 -13.036 -2.944 10.891 1.00 0.00 C ATOM 1142 OE1 GLN 1 92 -12.290 -3.934 10.412 1.00 0.00 O flip ATOM 1143 NE2 GLN 1 92 -14.232 -2.828 10.628 1.00 0.00 N flip ATOM 0 H GLN 1 92 -10.397 1.221 12.425 1.00 0.00 H new ATOM 0 HA GLN 1 92 -9.873 -1.620 12.904 1.00 0.00 H new ATOM 0 HB2 GLN 1 92 -11.383 -0.536 10.500 1.00 0.00 H new ATOM 0 HB3 GLN 1 92 -10.616 -2.111 10.536 1.00 0.00 H new ATOM 0 HG2 GLN 1 92 -12.066 -2.436 12.730 1.00 0.00 H new ATOM 0 HG3 GLN 1 92 -13.030 -1.143 12.046 1.00 0.00 H new ATOM 0 HE21 GLN 1 92 -14.767 -2.052 11.018 1.00 0.00 H new ATOM 0 HE22 GLN 1 92 -14.689 -3.508 10.020 1.00 0.00 H new ATOM 1152 N VAL 1 93 -7.799 -1.376 11.463 1.00 0.00 N ATOM 1153 CA VAL 1 93 -6.522 -1.093 10.811 1.00 0.00 C ATOM 1154 C VAL 1 93 -6.132 -2.187 9.818 1.00 0.00 C ATOM 1155 O VAL 1 93 -6.488 -3.353 9.989 1.00 0.00 O ATOM 1156 CB VAL 1 93 -5.389 -0.886 11.847 1.00 0.00 C ATOM 1157 CG1 VAL 1 93 -4.726 -2.202 12.233 1.00 0.00 C ATOM 1158 CG2 VAL 1 93 -4.360 0.100 11.316 1.00 0.00 C ATOM 0 H VAL 1 93 -7.867 -2.298 11.894 1.00 0.00 H new ATOM 0 HA VAL 1 93 -6.657 -0.165 10.255 1.00 0.00 H new ATOM 0 HB VAL 1 93 -5.838 -0.473 12.750 1.00 0.00 H new ATOM 0 HG11 VAL 1 93 -3.937 -2.012 12.961 1.00 0.00 H new ATOM 0 HG12 VAL 1 93 -5.469 -2.870 12.669 1.00 0.00 H new ATOM 0 HG13 VAL 1 93 -4.296 -2.667 11.346 1.00 0.00 H new ATOM 0 HG21 VAL 1 93 -3.570 0.235 12.055 1.00 0.00 H new ATOM 0 HG22 VAL 1 93 -3.930 -0.286 10.392 1.00 0.00 H new ATOM 0 HG23 VAL 1 93 -4.841 1.058 11.120 1.00 0.00 H new ATOM 1168 N LEU 1 94 -5.393 -1.798 8.782 1.00 0.00 N ATOM 1169 CA LEU 1 94 -4.946 -2.739 7.761 1.00 0.00 C ATOM 1170 C LEU 1 94 -3.479 -2.503 7.413 1.00 0.00 C ATOM 1171 O LEU 1 94 -3.114 -1.446 6.900 1.00 0.00 O ATOM 1172 CB LEU 1 94 -5.815 -2.616 6.504 1.00 0.00 C ATOM 1173 CG LEU 1 94 -5.475 -3.577 5.355 1.00 0.00 C ATOM 1174 CD1 LEU 1 94 -4.514 -2.922 4.376 1.00 0.00 C ATOM 1175 CD2 LEU 1 94 -4.893 -4.883 5.880 1.00 0.00 C ATOM 0 H LEU 1 94 -5.091 -0.836 8.628 1.00 0.00 H new ATOM 0 HA LEU 1 94 -5.047 -3.748 8.160 1.00 0.00 H new ATOM 0 HB2 LEU 1 94 -6.855 -2.775 6.788 1.00 0.00 H new ATOM 0 HB3 LEU 1 94 -5.738 -1.594 6.132 1.00 0.00 H new ATOM 0 HG LEU 1 94 -6.402 -3.810 4.831 1.00 0.00 H new ATOM 0 HD11 LEU 1 94 -4.285 -3.619 3.569 1.00 0.00 H new ATOM 0 HD12 LEU 1 94 -4.973 -2.024 3.961 1.00 0.00 H new ATOM 0 HD13 LEU 1 94 -3.594 -2.653 4.894 1.00 0.00 H new ATOM 0 HD21 LEU 1 94 -4.663 -5.542 5.042 1.00 0.00 H new ATOM 0 HD22 LEU 1 94 -3.981 -4.676 6.440 1.00 0.00 H new ATOM 0 HD23 LEU 1 94 -5.618 -5.368 6.534 1.00 0.00 H new ATOM 1187 N ILE 1 95 -2.643 -3.494 7.701 1.00 0.00 N ATOM 1188 CA ILE 1 95 -1.214 -3.396 7.424 1.00 0.00 C ATOM 1189 C ILE 1 95 -0.911 -3.726 5.967 1.00 0.00 C ATOM 1190 O ILE 1 95 -1.648 -4.474 5.325 1.00 0.00 O ATOM 1191 CB ILE 1 95 -0.401 -4.338 8.335 1.00 0.00 C ATOM 1192 CG1 ILE 1 95 -0.730 -4.068 9.804 1.00 0.00 C ATOM 1193 CG2 ILE 1 95 1.091 -4.172 8.082 1.00 0.00 C ATOM 1194 CD1 ILE 1 95 -0.890 -5.326 10.626 1.00 0.00 C ATOM 0 H ILE 1 95 -2.930 -4.375 8.127 1.00 0.00 H new ATOM 0 HA ILE 1 95 -0.922 -2.365 7.626 1.00 0.00 H new ATOM 0 HB ILE 1 95 -0.674 -5.367 8.101 1.00 0.00 H new ATOM 0 HG12 ILE 1 95 0.061 -3.457 10.239 1.00 0.00 H new ATOM 0 HG13 ILE 1 95 -1.650 -3.486 9.861 1.00 0.00 H new ATOM 0 HG21 ILE 1 95 1.648 -4.845 8.734 1.00 0.00 H new ATOM 0 HG22 ILE 1 95 1.312 -4.410 7.041 1.00 0.00 H new ATOM 0 HG23 ILE 1 95 1.383 -3.142 8.289 1.00 0.00 H new ATOM 0 HD11 ILE 1 95 -1.122 -5.060 11.657 1.00 0.00 H new ATOM 0 HD12 ILE 1 95 -1.700 -5.928 10.215 1.00 0.00 H new ATOM 0 HD13 ILE 1 95 0.037 -5.899 10.599 1.00 0.00 H new ATOM 1206 N ALA 1 96 0.178 -3.163 5.451 1.00 0.00 N ATOM 1207 CA ALA 1 96 0.581 -3.398 4.070 1.00 0.00 C ATOM 1208 C ALA 1 96 2.099 -3.488 3.946 1.00 0.00 C ATOM 1209 O ALA 1 96 2.801 -2.481 4.048 1.00 0.00 O ATOM 1210 CB ALA 1 96 0.040 -2.298 3.169 1.00 0.00 C ATOM 0 H ALA 1 96 0.797 -2.540 5.970 1.00 0.00 H new ATOM 0 HA ALA 1 96 0.161 -4.353 3.753 1.00 0.00 H new ATOM 0 HB1 ALA 1 96 0.348 -2.486 2.140 1.00 0.00 H new ATOM 0 HB2 ALA 1 96 -1.048 -2.284 3.225 1.00 0.00 H new ATOM 0 HB3 ALA 1 96 0.432 -1.335 3.495 1.00 0.00 H new ATOM 1216 N LYS 1 97 2.599 -4.699 3.721 1.00 0.00 N ATOM 1217 CA LYS 1 97 4.035 -4.921 3.579 1.00 0.00 C ATOM 1218 C LYS 1 97 4.386 -5.262 2.135 1.00 0.00 C ATOM 1219 O LYS 1 97 3.854 -6.215 1.569 1.00 0.00 O ATOM 1220 CB LYS 1 97 4.494 -6.046 4.508 1.00 0.00 C ATOM 1221 CG LYS 1 97 3.979 -5.908 5.932 1.00 0.00 C ATOM 1222 CD LYS 1 97 3.473 -7.235 6.476 1.00 0.00 C ATOM 1223 CE LYS 1 97 4.572 -8.286 6.496 1.00 0.00 C ATOM 1224 NZ LYS 1 97 4.404 -9.287 5.406 1.00 0.00 N ATOM 0 H LYS 1 97 2.032 -5.542 3.633 1.00 0.00 H new ATOM 0 HA LYS 1 97 4.551 -4.002 3.855 1.00 0.00 H new ATOM 0 HB2 LYS 1 97 4.161 -7.001 4.101 1.00 0.00 H new ATOM 0 HB3 LYS 1 97 5.584 -6.070 4.525 1.00 0.00 H new ATOM 0 HG2 LYS 1 97 4.776 -5.532 6.573 1.00 0.00 H new ATOM 0 HG3 LYS 1 97 3.175 -5.173 5.959 1.00 0.00 H new ATOM 0 HD2 LYS 1 97 3.087 -7.092 7.485 1.00 0.00 H new ATOM 0 HD3 LYS 1 97 2.643 -7.587 5.864 1.00 0.00 H new ATOM 0 HE2 LYS 1 97 5.542 -7.799 6.395 1.00 0.00 H new ATOM 0 HE3 LYS 1 97 4.570 -8.795 7.460 1.00 0.00 H new ATOM 0 HZ1 LYS 1 97 4.762 -10.210 5.724 1.00 0.00 H new ATOM 0 HZ2 LYS 1 97 3.396 -9.371 5.164 1.00 0.00 H new ATOM 0 HZ3 LYS 1 97 4.937 -8.980 4.567 1.00 0.00 H new ATOM 1238 N VAL 1 98 5.279 -4.474 1.542 1.00 0.00 N ATOM 1239 CA VAL 1 98 5.690 -4.694 0.159 1.00 0.00 C ATOM 1240 C VAL 1 98 7.134 -5.181 0.074 1.00 0.00 C ATOM 1241 O VAL 1 98 7.972 -4.820 0.900 1.00 0.00 O ATOM 1242 CB VAL 1 98 5.542 -3.406 -0.676 1.00 0.00 C ATOM 1243 CG1 VAL 1 98 6.437 -2.304 -0.131 1.00 0.00 C ATOM 1244 CG2 VAL 1 98 5.848 -3.678 -2.142 1.00 0.00 C ATOM 0 H VAL 1 98 5.730 -3.680 1.996 1.00 0.00 H new ATOM 0 HA VAL 1 98 5.033 -5.464 -0.246 1.00 0.00 H new ATOM 0 HB VAL 1 98 4.508 -3.068 -0.602 1.00 0.00 H new ATOM 0 HG11 VAL 1 98 6.316 -1.405 -0.735 1.00 0.00 H new ATOM 0 HG12 VAL 1 98 6.160 -2.087 0.901 1.00 0.00 H new ATOM 0 HG13 VAL 1 98 7.477 -2.629 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL 1 98 5.738 -2.757 -2.714 1.00 0.00 H new ATOM 0 HG22 VAL 1 98 6.870 -4.045 -2.238 1.00 0.00 H new ATOM 0 HG23 VAL 1 98 5.156 -4.428 -2.525 1.00 0.00 H new ATOM 1254 N THR 1 99 7.417 -6.001 -0.935 1.00 0.00 N ATOM 1255 CA THR 1 99 8.759 -6.536 -1.134 1.00 0.00 C ATOM 1256 C THR 1 99 8.967 -6.963 -2.587 1.00 0.00 C ATOM 1257 O THR 1 99 8.700 -8.108 -2.951 1.00 0.00 O ATOM 1258 CB THR 1 99 9.001 -7.724 -0.202 1.00 0.00 C ATOM 1259 OG1 THR 1 99 8.779 -7.355 1.147 1.00 0.00 O ATOM 1260 CG2 THR 1 99 10.402 -8.286 -0.300 1.00 0.00 C ATOM 0 H THR 1 99 6.734 -6.309 -1.627 1.00 0.00 H new ATOM 0 HA THR 1 99 9.475 -5.748 -0.900 1.00 0.00 H new ATOM 0 HB THR 1 99 8.297 -8.491 -0.523 1.00 0.00 H new ATOM 0 HG1 THR 1 99 8.726 -6.379 1.215 1.00 0.00 H new ATOM 0 HG21 THR 1 99 10.506 -9.126 0.387 1.00 0.00 H new ATOM 0 HG22 THR 1 99 10.587 -8.626 -1.319 1.00 0.00 H new ATOM 0 HG23 THR 1 99 11.124 -7.512 -0.039 1.00 0.00 H new ATOM 1268 N PRO 1 100 9.447 -6.040 -3.441 1.00 0.00 N ATOM 1269 CA PRO 1 100 9.690 -6.315 -4.849 1.00 0.00 C ATOM 1270 C PRO 1 100 11.088 -6.882 -5.106 1.00 0.00 C ATOM 1271 O PRO 1 100 11.262 -8.098 -5.181 1.00 0.00 O ATOM 1272 CB PRO 1 100 9.522 -4.947 -5.511 1.00 0.00 C ATOM 1273 CG PRO 1 100 9.643 -3.924 -4.416 1.00 0.00 C ATOM 1274 CD PRO 1 100 9.783 -4.656 -3.103 1.00 0.00 C ATOM 0 HA PRO 1 100 9.012 -7.074 -5.239 1.00 0.00 H new ATOM 0 HB2 PRO 1 100 10.284 -4.790 -6.275 1.00 0.00 H new ATOM 0 HB3 PRO 1 100 8.554 -4.872 -6.006 1.00 0.00 H new ATOM 0 HG2 PRO 1 100 10.507 -3.283 -4.588 1.00 0.00 H new ATOM 0 HG3 PRO 1 100 8.765 -3.278 -4.400 1.00 0.00 H new ATOM 0 HD2 PRO 1 100 10.795 -4.575 -2.705 1.00 0.00 H new ATOM 0 HD3 PRO 1 100 9.110 -4.254 -2.346 1.00 0.00 H new ATOM 1282 N GLY 1 101 12.083 -6.004 -5.241 1.00 0.00 N ATOM 1283 CA GLY 1 101 13.438 -6.461 -5.486 1.00 0.00 C ATOM 1284 C GLY 1 101 14.339 -5.377 -6.051 1.00 0.00 C ATOM 1285 O GLY 1 101 15.298 -4.960 -5.401 1.00 0.00 O ATOM 0 H GLY 1 101 11.973 -4.991 -5.185 1.00 0.00 H new ATOM 0 HA2 GLY 1 101 13.865 -6.830 -4.553 1.00 0.00 H new ATOM 0 HA3 GLY 1 101 13.412 -7.301 -6.180 1.00 0.00 H new ATOM 1289 N VAL 1 102 14.041 -4.928 -7.268 1.00 0.00 N ATOM 1290 CA VAL 1 102 14.845 -3.896 -7.918 1.00 0.00 C ATOM 1291 C VAL 1 102 14.049 -2.614 -8.142 1.00 0.00 C ATOM 1292 O VAL 1 102 12.827 -2.645 -8.272 1.00 0.00 O ATOM 1293 CB VAL 1 102 15.396 -4.392 -9.272 1.00 0.00 C ATOM 1294 CG1 VAL 1 102 14.314 -4.367 -10.346 1.00 0.00 C ATOM 1295 CG2 VAL 1 102 16.596 -3.559 -9.696 1.00 0.00 C ATOM 0 H VAL 1 102 13.252 -5.261 -7.822 1.00 0.00 H new ATOM 0 HA VAL 1 102 15.675 -3.678 -7.246 1.00 0.00 H new ATOM 0 HB VAL 1 102 15.720 -5.425 -9.148 1.00 0.00 H new ATOM 0 HG11 VAL 1 102 14.729 -4.721 -11.289 1.00 0.00 H new ATOM 0 HG12 VAL 1 102 13.489 -5.014 -10.047 1.00 0.00 H new ATOM 0 HG13 VAL 1 102 13.948 -3.348 -10.471 1.00 0.00 H new ATOM 0 HG21 VAL 1 102 16.972 -3.923 -10.652 1.00 0.00 H new ATOM 0 HG22 VAL 1 102 16.297 -2.516 -9.796 1.00 0.00 H new ATOM 0 HG23 VAL 1 102 17.380 -3.641 -8.943 1.00 0.00 H new ATOM 1305 N LEU 1 103 14.755 -1.489 -8.201 1.00 0.00 N ATOM 1306 CA LEU 1 103 14.119 -0.196 -8.424 1.00 0.00 C ATOM 1307 C LEU 1 103 14.962 0.672 -9.351 1.00 0.00 C ATOM 1308 O LEU 1 103 16.192 0.628 -9.311 1.00 0.00 O ATOM 1309 CB LEU 1 103 13.893 0.528 -7.096 1.00 0.00 C ATOM 1310 CG LEU 1 103 12.967 1.742 -7.177 1.00 0.00 C ATOM 1311 CD1 LEU 1 103 11.527 1.333 -6.911 1.00 0.00 C ATOM 1312 CD2 LEU 1 103 13.407 2.817 -6.195 1.00 0.00 C ATOM 0 H LEU 1 103 15.769 -1.447 -8.097 1.00 0.00 H new ATOM 0 HA LEU 1 103 13.154 -0.375 -8.898 1.00 0.00 H new ATOM 0 HB2 LEU 1 103 13.479 -0.180 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU 1 103 14.858 0.850 -6.705 1.00 0.00 H new ATOM 0 HG LEU 1 103 13.027 2.153 -8.185 1.00 0.00 H new ATOM 0 HD11 LEU 1 103 10.882 2.210 -6.973 1.00 0.00 H new ATOM 0 HD12 LEU 1 103 11.214 0.599 -7.654 1.00 0.00 H new ATOM 0 HD13 LEU 1 103 11.451 0.896 -5.915 1.00 0.00 H new ATOM 0 HD21 LEU 1 103 12.736 3.673 -6.268 1.00 0.00 H new ATOM 0 HD22 LEU 1 103 13.378 2.418 -5.181 1.00 0.00 H new ATOM 0 HD23 LEU 1 103 14.423 3.132 -6.432 1.00 0.00 H new ATOM 1324 N GLU 1 104 14.294 1.461 -10.186 1.00 0.00 N ATOM 1325 CA GLU 1 104 14.983 2.340 -11.124 1.00 0.00 C ATOM 1326 C GLU 1 104 15.664 3.490 -10.391 1.00 0.00 C ATOM 1327 O GLU 1 104 15.128 4.026 -9.421 1.00 0.00 O ATOM 1328 CB GLU 1 104 13.998 2.890 -12.158 1.00 0.00 C ATOM 1329 CG GLU 1 104 12.874 3.713 -11.550 1.00 0.00 C ATOM 1330 CD GLU 1 104 13.208 5.190 -11.476 1.00 0.00 C ATOM 1331 OE1 GLU 1 104 13.347 5.821 -12.545 1.00 0.00 O ATOM 1332 OE2 GLU 1 104 13.330 5.715 -10.350 1.00 0.00 O ATOM 0 H GLU 1 104 13.276 1.510 -10.232 1.00 0.00 H new ATOM 0 HA GLU 1 104 15.748 1.756 -11.636 1.00 0.00 H new ATOM 0 HB2 GLU 1 104 14.542 3.506 -12.874 1.00 0.00 H new ATOM 0 HB3 GLU 1 104 13.567 2.058 -12.716 1.00 0.00 H new ATOM 0 HG2 GLU 1 104 11.969 3.578 -12.142 1.00 0.00 H new ATOM 0 HG3 GLU 1 104 12.658 3.342 -10.548 1.00 0.00 H new ATOM 1339 N HIS 1 105 16.849 3.866 -10.862 1.00 0.00 N ATOM 1340 CA HIS 1 105 17.604 4.953 -10.251 1.00 0.00 C ATOM 1341 C HIS 1 105 17.565 6.202 -11.126 1.00 0.00 C ATOM 1342 O HIS 1 105 17.399 6.114 -12.342 1.00 0.00 O ATOM 1343 CB HIS 1 105 19.054 4.526 -10.015 1.00 0.00 C ATOM 1344 CG HIS 1 105 19.288 3.920 -8.666 1.00 0.00 C ATOM 1345 ND1 HIS 1 105 18.291 3.314 -7.930 1.00 0.00 N ATOM 1346 CD2 HIS 1 105 20.413 3.828 -7.919 1.00 0.00 C ATOM 1347 CE1 HIS 1 105 18.794 2.876 -6.789 1.00 0.00 C ATOM 1348 NE2 HIS 1 105 20.079 3.175 -6.758 1.00 0.00 N ATOM 0 H HIS 1 105 17.306 3.434 -11.665 1.00 0.00 H new ATOM 0 HA HIS 1 105 17.142 5.189 -9.292 1.00 0.00 H new ATOM 0 HB2 HIS 1 105 19.342 3.807 -10.782 1.00 0.00 H new ATOM 0 HB3 HIS 1 105 19.703 5.394 -10.132 1.00 0.00 H new ATOM 0 HD2 HIS 1 105 21.391 4.199 -8.186 1.00 0.00 H new ATOM 0 HE1 HIS 1 105 18.246 2.361 -6.014 1.00 0.00 H new ATOM 0 HE2 HIS 1 105 20.720 2.957 -5.995 1.00 0.00 H new ATOM 1357 N HIS 1 106 17.720 7.363 -10.498 1.00 0.00 N ATOM 1358 CA HIS 1 106 17.702 8.630 -11.220 1.00 0.00 C ATOM 1359 C HIS 1 106 18.904 8.742 -12.153 1.00 0.00 C ATOM 1360 O HIS 1 106 19.626 7.769 -12.371 1.00 0.00 O ATOM 1361 CB HIS 1 106 17.694 9.801 -10.235 1.00 0.00 C ATOM 1362 CG HIS 1 106 16.775 10.913 -10.636 1.00 0.00 C ATOM 1363 ND1 HIS 1 106 16.405 11.930 -9.780 1.00 0.00 N ATOM 1364 CD2 HIS 1 106 16.149 11.167 -11.810 1.00 0.00 C ATOM 1365 CE1 HIS 1 106 15.592 12.759 -10.410 1.00 0.00 C ATOM 1366 NE2 HIS 1 106 15.421 12.319 -11.642 1.00 0.00 N ATOM 0 H HIS 1 106 17.859 7.453 -9.492 1.00 0.00 H new ATOM 0 HA HIS 1 106 16.794 8.664 -11.822 1.00 0.00 H new ATOM 0 HB2 HIS 1 106 17.401 9.435 -9.251 1.00 0.00 H new ATOM 0 HB3 HIS 1 106 18.707 10.193 -10.141 1.00 0.00 H new ATOM 0 HD2 HIS 1 106 16.211 10.574 -12.710 1.00 0.00 H new ATOM 0 HE1 HIS 1 106 15.143 13.646 -9.988 1.00 0.00 H new ATOM 0 HE2 HIS 1 106 14.842 12.763 -12.355 1.00 0.00 H new ATOM 1375 N HIS 1 107 19.112 9.935 -12.702 1.00 0.00 N ATOM 1376 CA HIS 1 107 20.226 10.174 -13.611 1.00 0.00 C ATOM 1377 C HIS 1 107 20.403 11.666 -13.874 1.00 0.00 C ATOM 1378 O HIS 1 107 19.442 12.434 -13.822 1.00 0.00 O ATOM 1379 CB HIS 1 107 20.002 9.434 -14.931 1.00 0.00 C ATOM 1380 CG HIS 1 107 18.666 9.704 -15.549 1.00 0.00 C ATOM 1381 ND1 HIS 1 107 17.804 10.676 -15.085 1.00 0.00 N ATOM 1382 CD2 HIS 1 107 18.043 9.123 -16.603 1.00 0.00 C ATOM 1383 CE1 HIS 1 107 16.709 10.680 -15.825 1.00 0.00 C ATOM 1384 NE2 HIS 1 107 16.830 9.748 -16.753 1.00 0.00 N ATOM 0 H HIS 1 107 18.523 10.751 -12.533 1.00 0.00 H new ATOM 0 HA HIS 1 107 21.134 9.796 -13.141 1.00 0.00 H new ATOM 0 HB2 HIS 1 107 20.783 9.720 -15.635 1.00 0.00 H new ATOM 0 HB3 HIS 1 107 20.104 8.362 -14.759 1.00 0.00 H new ATOM 0 HD1 HIS 1 107 17.984 11.295 -14.294 1.00 0.00 H new ATOM 0 HD2 HIS 1 107 18.429 8.318 -17.211 1.00 0.00 H new ATOM 0 HE1 HIS 1 107 15.860 11.334 -15.693 1.00 0.00 H new ATOM 1393 N HIS 1 108 21.637 12.070 -14.157 1.00 0.00 N ATOM 1394 CA HIS 1 108 21.939 13.471 -14.429 1.00 0.00 C ATOM 1395 C HIS 1 108 22.116 13.710 -15.925 1.00 0.00 C ATOM 1396 O HIS 1 108 21.532 14.635 -16.489 1.00 0.00 O ATOM 1397 CB HIS 1 108 23.203 13.896 -13.679 1.00 0.00 C ATOM 1398 CG HIS 1 108 23.129 13.666 -12.202 1.00 0.00 C ATOM 1399 ND1 HIS 1 108 23.015 12.411 -11.640 1.00 0.00 N ATOM 1400 CD2 HIS 1 108 23.153 14.539 -11.167 1.00 0.00 C ATOM 1401 CE1 HIS 1 108 22.972 12.523 -10.324 1.00 0.00 C ATOM 1402 NE2 HIS 1 108 23.054 13.803 -10.012 1.00 0.00 N ATOM 0 H HIS 1 108 22.444 11.448 -14.204 1.00 0.00 H new ATOM 0 HA HIS 1 108 21.099 14.072 -14.081 1.00 0.00 H new ATOM 0 HB2 HIS 1 108 24.055 13.349 -14.081 1.00 0.00 H new ATOM 0 HB3 HIS 1 108 23.387 14.954 -13.865 1.00 0.00 H new ATOM 0 HD2 HIS 1 108 23.235 15.614 -11.237 1.00 0.00 H new ATOM 0 HE1 HIS 1 108 22.885 11.706 -9.623 1.00 0.00 H new ATOM 0 HE2 HIS 1 108 23.045 14.184 -9.066 1.00 0.00 H new ATOM 1411 N HIS 1 109 22.925 12.869 -16.561 1.00 0.00 N ATOM 1412 CA HIS 1 109 23.178 12.989 -17.992 1.00 0.00 C ATOM 1413 C HIS 1 109 21.887 12.835 -18.789 1.00 0.00 C ATOM 1414 O HIS 1 109 20.877 12.361 -18.268 1.00 0.00 O ATOM 1415 CB HIS 1 109 24.196 11.938 -18.441 1.00 0.00 C ATOM 1416 CG HIS 1 109 23.729 10.530 -18.241 1.00 0.00 C ATOM 1417 ND1 HIS 1 109 23.755 9.894 -17.018 1.00 0.00 N ATOM 1418 CD2 HIS 1 109 23.219 9.633 -19.119 1.00 0.00 C ATOM 1419 CE1 HIS 1 109 23.284 8.666 -17.152 1.00 0.00 C ATOM 1420 NE2 HIS 1 109 22.952 8.484 -18.416 1.00 0.00 N ATOM 0 H HIS 1 109 23.416 12.098 -16.109 1.00 0.00 H new ATOM 0 HA HIS 1 109 23.584 13.983 -18.181 1.00 0.00 H new ATOM 0 HB2 HIS 1 109 24.422 12.091 -19.496 1.00 0.00 H new ATOM 0 HB3 HIS 1 109 25.125 12.086 -17.891 1.00 0.00 H new ATOM 0 HD2 HIS 1 109 23.053 9.792 -20.174 1.00 0.00 H new ATOM 0 HE1 HIS 1 109 23.187 7.936 -16.362 1.00 0.00 H new ATOM 0 HE2 HIS 1 109 22.560 7.628 -18.808 1.00 0.00 H new ATOM 1429 N HIS 1 110 21.926 13.239 -20.054 1.00 0.00 N ATOM 1430 CA HIS 1 110 20.758 13.146 -20.923 1.00 0.00 C ATOM 1431 C HIS 1 110 21.171 12.835 -22.358 1.00 0.00 C ATOM 1432 O HIS 1 110 22.168 13.423 -22.826 1.00 0.00 O ATOM 1433 CB HIS 1 110 19.960 14.450 -20.881 1.00 0.00 C ATOM 1434 CG HIS 1 110 18.487 14.255 -21.063 1.00 0.00 C ATOM 1435 ND1 HIS 1 110 17.780 13.241 -20.453 1.00 0.00 N ATOM 1436 CD2 HIS 1 110 17.584 14.953 -21.793 1.00 0.00 C ATOM 1437 CE1 HIS 1 110 16.507 13.323 -20.800 1.00 0.00 C ATOM 1438 NE2 HIS 1 110 16.363 14.353 -21.612 1.00 0.00 N ATOM 1439 OXT HIS 1 110 20.494 12.005 -23.001 1.00 0.00 O ATOM 0 H HIS 1 110 22.754 13.634 -20.501 1.00 0.00 H new ATOM 0 HA HIS 1 110 20.130 12.332 -20.560 1.00 0.00 H new ATOM 0 HB2 HIS 1 110 20.138 14.945 -19.926 1.00 0.00 H new ATOM 0 HB3 HIS 1 110 20.329 15.118 -21.660 1.00 0.00 H new ATOM 0 HD2 HIS 1 110 17.787 15.820 -22.404 1.00 0.00 H new ATOM 0 HE1 HIS 1 110 15.719 12.660 -20.474 1.00 0.00 H new ATOM 0 HE2 HIS 1 110 15.486 14.655 -22.037 1.00 0.00 H new TER 1448 HIS 1 110