USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1125 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 112 MET CE :methyl 169:sc=-0.00831 (180deg=-0.297) USER MOD Set 1.3: A 143 THR OG1 : rot 66:sc= 1.3 USER MOD Set 2.1: A 64 GLN : amide:sc= 0.921 K(o=2.1,f=1.4) USER MOD Set 2.2: A 67 ASN : amide:sc= 0.0203 K(o=2.1,f=1.3) USER MOD Set 2.3: A 69 HIS : no HD1:sc= 1.15 K(o=2.1,f=-8.3!) USER MOD Set 3.1: A 31 GLN : amide:sc= 0.93 K(o=2,f=-0.077) USER MOD Set 3.2: A 35 ASN : amide:sc= 1.1 K(o=2,f=0.84) USER MOD Single : A 1 SER N :NH3+ -135:sc= 0 (180deg=-1.32!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -172:sc= 0 (180deg=-0.107) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.0491 K(o=-0.049,f=-0.78) USER MOD Single : A 8 MET CE :methyl -121:sc= 0 (180deg=-0.125) USER MOD Single : A 9 THR OG1 : rot 170:sc= -0.0158 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 167:sc= 0 (180deg=-0.207) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.734 K(o=0.73,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.0758 X(o=-0.076,f=-0.0074) USER MOD Single : A 30 MET CE :methyl 163:sc= -0.0123 (180deg=-0.171) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.553 X(o=-0.55,f=-0.092) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.244 K(o=-0.24,f=-0.77) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -175:sc= 0.749 (180deg=0.736) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= 0.46 K(o=1.4,f=-6.9!) USER MOD Single : A 72 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0145) USER MOD Single : A 74 MET CE :methyl -167:sc=-0.00291 (180deg=-0.25) USER MOD Single : A 78 MET CE :methyl -177:sc= -0.17 (180deg=-0.179) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= 0.113 K(o=0.11,f=-5.7!) USER MOD Single : A 86 MET CE :methyl -176:sc= 0 (180deg=-0.0345) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.333 X(o=-0.33,f=0.0039) USER MOD Single : A 95 HIS : no HD1:sc= 0.405 K(o=2.2,f=-9!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -2.06 K(o=-2.1,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.395 USER MOD Single : A 114 ASN : amide:sc= 0.788 K(o=0.79,f=-0.88) USER MOD Single : A 117 MET CE :methyl -178:sc= -0.605 (180deg=-0.636) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00459) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.0279 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.484 -26.030 -3.844 1.00 75.41 N ATOM 2 CA SER A 1 -0.915 -25.492 -3.606 1.00 52.21 C ATOM 3 C SER A 1 -1.159 -24.828 -2.260 1.00 35.10 C ATOM 4 O SER A 1 -1.863 -23.823 -2.167 1.00 21.00 O ATOM 5 CB SER A 1 -1.974 -26.625 -3.770 1.00 54.42 C ATOM 6 OG SER A 1 -2.050 -27.098 -5.117 1.00 22.31 O ATOM 0 H1 SER A 1 0.803 -25.758 -4.796 1.00 75.41 H new ATOM 0 H2 SER A 1 1.134 -25.634 -3.135 1.00 75.41 H new ATOM 0 H3 SER A 1 0.475 -27.067 -3.765 1.00 75.41 H new ATOM 0 HA SER A 1 -1.015 -24.712 -4.361 1.00 52.21 H new ATOM 0 HB2 SER A 1 -1.723 -27.454 -3.109 1.00 54.42 H new ATOM 0 HB3 SER A 1 -2.951 -26.255 -3.460 1.00 54.42 H new ATOM 0 HG SER A 1 -2.723 -27.808 -5.177 1.00 22.31 H new ATOM 14 N LYS A 2 -0.595 -25.380 -1.162 1.00 34.52 N ATOM 15 CA LYS A 2 -0.928 -24.988 0.191 1.00 61.44 C ATOM 16 C LYS A 2 -0.070 -23.822 0.622 1.00 12.10 C ATOM 17 O LYS A 2 1.155 -23.903 0.674 1.00 63.24 O ATOM 18 CB LYS A 2 -0.742 -26.149 1.200 1.00 72.32 C ATOM 19 CG LYS A 2 -1.691 -27.344 0.984 1.00 45.45 C ATOM 20 CD LYS A 2 -3.167 -27.017 1.279 1.00 63.32 C ATOM 21 CE LYS A 2 -4.083 -28.241 1.368 1.00 42.31 C ATOM 22 NZ LYS A 2 -4.144 -28.937 0.069 1.00 73.54 N ATOM 0 H LYS A 2 0.109 -26.116 -1.210 1.00 34.52 H new ATOM 0 HA LYS A 2 -1.980 -24.704 0.189 1.00 61.44 H new ATOM 0 HB2 LYS A 2 0.287 -26.504 1.140 1.00 72.32 H new ATOM 0 HB3 LYS A 2 -0.888 -25.763 2.209 1.00 72.32 H new ATOM 0 HG2 LYS A 2 -1.602 -27.687 -0.047 1.00 45.45 H new ATOM 0 HG3 LYS A 2 -1.375 -28.169 1.623 1.00 45.45 H new ATOM 0 HD2 LYS A 2 -3.223 -26.468 2.219 1.00 63.32 H new ATOM 0 HD3 LYS A 2 -3.542 -26.354 0.499 1.00 63.32 H new ATOM 0 HE2 LYS A 2 -3.715 -28.922 2.135 1.00 42.31 H new ATOM 0 HE3 LYS A 2 -5.084 -27.932 1.669 1.00 42.31 H new ATOM 0 HZ1 LYS A 2 -4.769 -29.764 0.147 1.00 73.54 H new ATOM 0 HZ2 LYS A 2 -4.516 -28.289 -0.655 1.00 73.54 H new ATOM 0 HZ3 LYS A 2 -3.190 -29.249 -0.203 1.00 73.54 H new ATOM 36 N GLU A 3 -0.748 -22.691 0.917 1.00 14.12 N ATOM 37 CA GLU A 3 -0.257 -21.403 1.338 1.00 2.44 C ATOM 38 C GLU A 3 0.697 -20.742 0.363 1.00 15.32 C ATOM 39 O GLU A 3 1.420 -19.805 0.689 1.00 33.24 O ATOM 40 CB GLU A 3 0.318 -21.517 2.764 1.00 71.54 C ATOM 41 CG GLU A 3 -0.734 -21.904 3.835 1.00 64.02 C ATOM 42 CD GLU A 3 -0.129 -22.036 5.235 1.00 1.21 C ATOM 43 OE1 GLU A 3 0.759 -22.909 5.415 1.00 60.22 O ATOM 44 OE2 GLU A 3 -0.579 -21.285 6.139 1.00 70.40 O ATOM 0 H GLU A 3 -1.766 -22.681 0.852 1.00 14.12 H new ATOM 0 HA GLU A 3 -1.107 -20.720 1.351 1.00 2.44 H new ATOM 0 HB2 GLU A 3 1.115 -22.261 2.766 1.00 71.54 H new ATOM 0 HB3 GLU A 3 0.770 -20.565 3.040 1.00 71.54 H new ATOM 0 HG2 GLU A 3 -1.522 -21.151 3.853 1.00 64.02 H new ATOM 0 HG3 GLU A 3 -1.202 -22.848 3.555 1.00 64.02 H new ATOM 51 N VAL A 4 0.645 -21.207 -0.899 1.00 33.10 N ATOM 52 CA VAL A 4 1.387 -20.675 -2.032 1.00 21.30 C ATOM 53 C VAL A 4 0.766 -19.387 -2.520 1.00 5.33 C ATOM 54 O VAL A 4 1.444 -18.417 -2.851 1.00 62.52 O ATOM 55 CB VAL A 4 1.385 -21.645 -3.205 1.00 41.04 C ATOM 56 CG1 VAL A 4 2.145 -21.102 -4.438 1.00 54.35 C ATOM 57 CG2 VAL A 4 1.945 -22.997 -2.757 1.00 50.01 C ATOM 0 H VAL A 4 0.056 -21.999 -1.157 1.00 33.10 H new ATOM 0 HA VAL A 4 2.406 -20.509 -1.684 1.00 21.30 H new ATOM 0 HB VAL A 4 0.351 -21.771 -3.526 1.00 41.04 H new ATOM 0 HG11 VAL A 4 2.109 -21.838 -5.241 1.00 54.35 H new ATOM 0 HG12 VAL A 4 1.679 -20.175 -4.774 1.00 54.35 H new ATOM 0 HG13 VAL A 4 3.184 -20.909 -4.169 1.00 54.35 H new ATOM 0 HG21 VAL A 4 1.942 -23.689 -3.599 1.00 50.01 H new ATOM 0 HG22 VAL A 4 2.966 -22.867 -2.398 1.00 50.01 H new ATOM 0 HG23 VAL A 4 1.326 -23.399 -1.955 1.00 50.01 H new ATOM 67 N MET A 5 -0.580 -19.433 -2.645 1.00 3.22 N ATOM 68 CA MET A 5 -1.337 -18.721 -3.647 1.00 52.14 C ATOM 69 C MET A 5 -1.279 -17.215 -3.494 1.00 72.41 C ATOM 70 O MET A 5 -1.146 -16.479 -4.469 1.00 64.21 O ATOM 71 CB MET A 5 -2.814 -19.196 -3.647 1.00 55.23 C ATOM 72 CG MET A 5 -2.995 -20.676 -4.059 1.00 34.01 C ATOM 73 SD MET A 5 -2.353 -21.116 -5.709 1.00 10.52 S ATOM 74 CE MET A 5 -3.580 -20.219 -6.705 1.00 60.45 C ATOM 0 H MET A 5 -1.167 -19.989 -2.023 1.00 3.22 H new ATOM 0 HA MET A 5 -0.869 -18.955 -4.603 1.00 52.14 H new ATOM 0 HB2 MET A 5 -3.232 -19.052 -2.651 1.00 55.23 H new ATOM 0 HB3 MET A 5 -3.388 -18.567 -4.327 1.00 55.23 H new ATOM 0 HG2 MET A 5 -2.502 -21.304 -3.317 1.00 34.01 H new ATOM 0 HG3 MET A 5 -4.058 -20.917 -4.026 1.00 34.01 H new ATOM 0 HE1 MET A 5 -3.451 -20.474 -7.757 1.00 60.45 H new ATOM 0 HE2 MET A 5 -4.584 -20.498 -6.384 1.00 60.45 H new ATOM 0 HE3 MET A 5 -3.442 -19.146 -6.572 1.00 60.45 H new ATOM 84 N LYS A 6 -1.370 -16.735 -2.237 1.00 74.34 N ATOM 85 CA LYS A 6 -1.131 -15.357 -1.887 1.00 23.10 C ATOM 86 C LYS A 6 -0.071 -15.412 -0.807 1.00 42.02 C ATOM 87 O LYS A 6 -0.198 -16.175 0.150 1.00 52.22 O ATOM 88 CB LYS A 6 -2.458 -14.690 -1.427 1.00 22.13 C ATOM 89 CG LYS A 6 -2.426 -13.190 -1.063 1.00 21.52 C ATOM 90 CD LYS A 6 -1.938 -12.879 0.364 1.00 52.44 C ATOM 91 CE LYS A 6 -2.243 -11.453 0.836 1.00 1.34 C ATOM 92 NZ LYS A 6 -1.462 -10.474 0.056 1.00 64.45 N ATOM 0 H LYS A 6 -1.617 -17.319 -1.438 1.00 74.34 H new ATOM 0 HA LYS A 6 -0.784 -14.745 -2.720 1.00 23.10 H new ATOM 0 HB2 LYS A 6 -3.193 -14.826 -2.221 1.00 22.13 H new ATOM 0 HB3 LYS A 6 -2.823 -15.237 -0.558 1.00 22.13 H new ATOM 0 HG2 LYS A 6 -1.781 -12.673 -1.773 1.00 21.52 H new ATOM 0 HG3 LYS A 6 -3.428 -12.780 -1.186 1.00 21.52 H new ATOM 0 HD2 LYS A 6 -2.399 -13.585 1.055 1.00 52.44 H new ATOM 0 HD3 LYS A 6 -0.861 -13.043 0.411 1.00 52.44 H new ATOM 0 HE2 LYS A 6 -3.308 -11.247 0.727 1.00 1.34 H new ATOM 0 HE3 LYS A 6 -2.006 -11.355 1.895 1.00 1.34 H new ATOM 0 HZ1 LYS A 6 -1.680 -9.513 0.388 1.00 64.45 H new ATOM 0 HZ2 LYS A 6 -0.447 -10.662 0.181 1.00 64.45 H new ATOM 0 HZ3 LYS A 6 -1.708 -10.557 -0.951 1.00 64.45 H new ATOM 106 N GLN A 7 1.037 -14.650 -0.975 1.00 0.11 N ATOM 107 CA GLN A 7 2.215 -14.739 -0.133 1.00 14.51 C ATOM 108 C GLN A 7 1.987 -14.284 1.304 1.00 10.30 C ATOM 109 O GLN A 7 1.360 -13.259 1.568 1.00 42.35 O ATOM 110 CB GLN A 7 3.391 -13.948 -0.771 1.00 54.11 C ATOM 111 CG GLN A 7 4.747 -14.095 -0.043 1.00 54.52 C ATOM 112 CD GLN A 7 5.187 -15.562 -0.025 1.00 2.03 C ATOM 113 OE1 GLN A 7 5.114 -16.233 1.007 1.00 22.05 O ATOM 114 NE2 GLN A 7 5.609 -16.081 -1.207 1.00 55.24 N ATOM 0 H GLN A 7 1.121 -13.952 -1.714 1.00 0.11 H new ATOM 0 HA GLN A 7 2.465 -15.798 -0.074 1.00 14.51 H new ATOM 0 HB2 GLN A 7 3.512 -14.276 -1.803 1.00 54.11 H new ATOM 0 HB3 GLN A 7 3.125 -12.892 -0.802 1.00 54.11 H new ATOM 0 HG2 GLN A 7 5.503 -13.488 -0.542 1.00 54.52 H new ATOM 0 HG3 GLN A 7 4.661 -13.722 0.978 1.00 54.52 H new ATOM 0 HE21 GLN A 7 5.654 -15.489 -2.037 1.00 55.24 H new ATOM 0 HE22 GLN A 7 5.881 -17.062 -1.265 1.00 55.24 H new ATOM 123 N MET A 8 2.505 -15.062 2.280 1.00 72.34 N ATOM 124 CA MET A 8 2.321 -14.810 3.694 1.00 64.40 C ATOM 125 C MET A 8 3.222 -13.698 4.209 1.00 63.04 C ATOM 126 O MET A 8 4.314 -13.451 3.699 1.00 23.33 O ATOM 127 CB MET A 8 2.574 -16.086 4.538 1.00 63.22 C ATOM 128 CG MET A 8 1.568 -17.218 4.247 1.00 3.12 C ATOM 129 SD MET A 8 1.861 -18.738 5.206 1.00 43.12 S ATOM 130 CE MET A 8 1.252 -18.143 6.811 1.00 73.23 C ATOM 0 H MET A 8 3.068 -15.890 2.087 1.00 72.34 H new ATOM 0 HA MET A 8 1.283 -14.497 3.804 1.00 64.40 H new ATOM 0 HB2 MET A 8 3.584 -16.448 4.344 1.00 63.22 H new ATOM 0 HB3 MET A 8 2.525 -15.829 5.596 1.00 63.22 H new ATOM 0 HG2 MET A 8 0.561 -16.857 4.457 1.00 3.12 H new ATOM 0 HG3 MET A 8 1.606 -17.459 3.185 1.00 3.12 H new ATOM 0 HE1 MET A 8 2.050 -18.211 7.551 1.00 73.23 H new ATOM 0 HE2 MET A 8 0.932 -17.105 6.717 1.00 73.23 H new ATOM 0 HE3 MET A 8 0.409 -18.756 7.130 1.00 73.23 H new ATOM 140 N THR A 9 2.774 -13.000 5.274 1.00 41.14 N ATOM 141 CA THR A 9 3.607 -12.083 6.028 1.00 61.33 C ATOM 142 C THR A 9 3.235 -12.335 7.471 1.00 44.43 C ATOM 143 O THR A 9 2.157 -12.869 7.729 1.00 21.12 O ATOM 144 CB THR A 9 3.446 -10.620 5.622 1.00 73.13 C ATOM 145 OG1 THR A 9 4.418 -9.809 6.268 1.00 62.13 O ATOM 146 CG2 THR A 9 2.043 -10.063 5.935 1.00 35.24 C ATOM 0 H THR A 9 1.818 -13.068 5.624 1.00 41.14 H new ATOM 0 HA THR A 9 4.664 -12.265 5.835 1.00 61.33 H new ATOM 0 HB THR A 9 3.587 -10.589 4.542 1.00 73.13 H new ATOM 0 HG1 THR A 9 4.406 -8.910 5.878 1.00 62.13 H new ATOM 0 HG21 THR A 9 1.988 -9.020 5.625 1.00 35.24 H new ATOM 0 HG22 THR A 9 1.293 -10.642 5.396 1.00 35.24 H new ATOM 0 HG23 THR A 9 1.854 -10.133 7.006 1.00 35.24 H new ATOM 154 N ILE A 10 4.153 -12.054 8.425 1.00 52.41 N ATOM 155 CA ILE A 10 4.066 -12.600 9.775 1.00 35.41 C ATOM 156 C ILE A 10 4.102 -11.551 10.888 1.00 45.31 C ATOM 157 O ILE A 10 3.483 -11.728 11.935 1.00 70.31 O ATOM 158 CB ILE A 10 5.138 -13.692 9.956 1.00 32.22 C ATOM 159 CG1 ILE A 10 4.961 -14.542 11.240 1.00 35.55 C ATOM 160 CG2 ILE A 10 6.566 -13.102 9.883 1.00 22.12 C ATOM 161 CD1 ILE A 10 3.659 -15.353 11.272 1.00 53.43 C ATOM 0 H ILE A 10 4.960 -11.449 8.271 1.00 52.41 H new ATOM 0 HA ILE A 10 3.077 -13.046 9.877 1.00 35.41 H new ATOM 0 HB ILE A 10 4.995 -14.375 9.119 1.00 32.22 H new ATOM 0 HG12 ILE A 10 5.806 -15.225 11.332 1.00 35.55 H new ATOM 0 HG13 ILE A 10 4.989 -13.883 12.108 1.00 35.55 H new ATOM 0 HG21 ILE A 10 7.297 -13.900 10.015 1.00 22.12 H new ATOM 0 HG22 ILE A 10 6.715 -12.630 8.912 1.00 22.12 H new ATOM 0 HG23 ILE A 10 6.694 -12.360 10.671 1.00 22.12 H new ATOM 0 HD11 ILE A 10 3.607 -15.921 12.201 1.00 53.43 H new ATOM 0 HD12 ILE A 10 2.807 -14.676 11.213 1.00 53.43 H new ATOM 0 HD13 ILE A 10 3.637 -16.039 10.425 1.00 53.43 H new ATOM 173 N ASN A 11 4.847 -10.429 10.734 1.00 20.34 N ATOM 174 CA ASN A 11 5.172 -9.549 11.849 1.00 45.30 C ATOM 175 C ASN A 11 4.048 -8.589 12.238 1.00 12.20 C ATOM 176 O ASN A 11 3.325 -8.054 11.400 1.00 71.21 O ATOM 177 CB ASN A 11 6.446 -8.717 11.547 1.00 10.00 C ATOM 178 CG ASN A 11 7.652 -9.640 11.372 1.00 51.11 C ATOM 179 OD1 ASN A 11 8.147 -9.814 10.256 1.00 31.54 O ATOM 180 ND2 ASN A 11 8.141 -10.241 12.488 1.00 22.10 N ATOM 0 H ASN A 11 5.229 -10.124 9.839 1.00 20.34 H new ATOM 0 HA ASN A 11 5.336 -10.219 12.693 1.00 45.30 H new ATOM 0 HB2 ASN A 11 6.297 -8.126 10.643 1.00 10.00 H new ATOM 0 HB3 ASN A 11 6.631 -8.015 12.360 1.00 10.00 H new ATOM 0 HD21 ASN A 11 8.947 -10.863 12.421 1.00 22.10 H new ATOM 0 HD22 ASN A 11 7.702 -10.070 13.393 1.00 22.10 H new ATOM 187 N PHE A 12 3.911 -8.310 13.560 1.00 21.20 N ATOM 188 CA PHE A 12 2.822 -7.542 14.150 1.00 20.01 C ATOM 189 C PHE A 12 2.712 -6.086 13.705 1.00 63.41 C ATOM 190 O PHE A 12 1.637 -5.494 13.755 1.00 21.12 O ATOM 191 CB PHE A 12 2.872 -7.629 15.712 1.00 43.22 C ATOM 192 CG PHE A 12 4.078 -6.963 16.341 1.00 72.14 C ATOM 193 CD1 PHE A 12 4.042 -5.601 16.692 1.00 4.32 C ATOM 194 CD2 PHE A 12 5.244 -7.700 16.617 1.00 12.25 C ATOM 195 CE1 PHE A 12 5.153 -4.983 17.281 1.00 33.43 C ATOM 196 CE2 PHE A 12 6.358 -7.086 17.203 1.00 30.34 C ATOM 197 CZ PHE A 12 6.314 -5.726 17.533 1.00 53.12 C ATOM 0 H PHE A 12 4.586 -8.631 14.254 1.00 21.20 H new ATOM 0 HA PHE A 12 1.919 -8.016 13.765 1.00 20.01 H new ATOM 0 HB2 PHE A 12 1.969 -7.173 16.118 1.00 43.22 H new ATOM 0 HB3 PHE A 12 2.859 -8.679 16.005 1.00 43.22 H new ATOM 0 HD1 PHE A 12 3.148 -5.025 16.505 1.00 4.32 H new ATOM 0 HD2 PHE A 12 5.281 -8.752 16.374 1.00 12.25 H new ATOM 0 HE1 PHE A 12 5.115 -3.935 17.540 1.00 33.43 H new ATOM 0 HE2 PHE A 12 7.251 -7.661 17.400 1.00 30.34 H new ATOM 0 HZ PHE A 12 7.174 -5.250 17.981 1.00 53.12 H new ATOM 207 N ALA A 13 3.822 -5.480 13.237 1.00 23.31 N ATOM 208 CA ALA A 13 3.855 -4.166 12.630 1.00 1.21 C ATOM 209 C ALA A 13 3.238 -4.074 11.256 1.00 13.10 C ATOM 210 O ALA A 13 2.815 -2.999 10.832 1.00 62.24 O ATOM 211 CB ALA A 13 5.299 -3.677 12.537 1.00 31.31 C ATOM 0 H ALA A 13 4.741 -5.919 13.280 1.00 23.31 H new ATOM 0 HA ALA A 13 3.246 -3.542 13.284 1.00 1.21 H new ATOM 0 HB1 ALA A 13 5.319 -2.688 12.080 1.00 31.31 H new ATOM 0 HB2 ALA A 13 5.730 -3.624 13.537 1.00 31.31 H new ATOM 0 HB3 ALA A 13 5.879 -4.370 11.928 1.00 31.31 H new ATOM 217 N LYS A 14 3.174 -5.192 10.505 1.00 14.02 N ATOM 218 CA LYS A 14 2.673 -5.184 9.150 1.00 61.05 C ATOM 219 C LYS A 14 1.208 -4.779 9.029 1.00 71.00 C ATOM 220 O LYS A 14 0.940 -3.943 8.162 1.00 25.14 O ATOM 221 CB LYS A 14 2.931 -6.543 8.455 1.00 53.12 C ATOM 222 CG LYS A 14 4.434 -6.877 8.359 1.00 33.21 C ATOM 223 CD LYS A 14 5.285 -5.807 7.650 1.00 12.35 C ATOM 224 CE LYS A 14 6.721 -6.261 7.388 1.00 32.30 C ATOM 225 NZ LYS A 14 7.466 -5.178 6.718 1.00 44.13 N ATOM 0 H LYS A 14 3.470 -6.111 10.834 1.00 14.02 H new ATOM 0 HA LYS A 14 3.236 -4.406 8.634 1.00 61.05 H new ATOM 0 HB2 LYS A 14 2.420 -7.333 9.006 1.00 53.12 H new ATOM 0 HB3 LYS A 14 2.501 -6.524 7.454 1.00 53.12 H new ATOM 0 HG2 LYS A 14 4.825 -7.025 9.366 1.00 33.21 H new ATOM 0 HG3 LYS A 14 4.549 -7.823 7.830 1.00 33.21 H new ATOM 0 HD2 LYS A 14 4.814 -5.546 6.702 1.00 12.35 H new ATOM 0 HD3 LYS A 14 5.301 -4.902 8.258 1.00 12.35 H new ATOM 0 HE2 LYS A 14 7.207 -6.524 8.327 1.00 32.30 H new ATOM 0 HE3 LYS A 14 6.723 -7.156 6.766 1.00 32.30 H new ATOM 0 HZ1 LYS A 14 8.443 -5.487 6.540 1.00 44.13 H new ATOM 0 HZ2 LYS A 14 7.006 -4.947 5.814 1.00 44.13 H new ATOM 0 HZ3 LYS A 14 7.475 -4.335 7.327 1.00 44.13 H new ATOM 239 N PRO A 15 0.218 -5.222 9.818 1.00 30.44 N ATOM 240 CA PRO A 15 -1.096 -4.598 9.798 1.00 71.43 C ATOM 241 C PRO A 15 -1.103 -3.184 10.354 1.00 23.31 C ATOM 242 O PRO A 15 -1.964 -2.406 9.951 1.00 72.22 O ATOM 243 CB PRO A 15 -1.962 -5.525 10.652 1.00 1.22 C ATOM 244 CG PRO A 15 -0.994 -6.197 11.619 1.00 3.44 C ATOM 245 CD PRO A 15 0.295 -6.309 10.804 1.00 60.14 C ATOM 0 HA PRO A 15 -1.458 -4.484 8.776 1.00 71.43 H new ATOM 0 HB2 PRO A 15 -2.729 -4.965 11.188 1.00 1.22 H new ATOM 0 HB3 PRO A 15 -2.477 -6.261 10.035 1.00 1.22 H new ATOM 0 HG2 PRO A 15 -0.849 -5.603 12.521 1.00 3.44 H new ATOM 0 HG3 PRO A 15 -1.356 -7.175 11.936 1.00 3.44 H new ATOM 0 HD2 PRO A 15 1.174 -6.204 11.440 1.00 60.14 H new ATOM 0 HD3 PRO A 15 0.370 -7.280 10.315 1.00 60.14 H new ATOM 253 N MET A 16 -0.183 -2.805 11.276 1.00 61.13 N ATOM 254 CA MET A 16 -0.178 -1.469 11.843 1.00 52.52 C ATOM 255 C MET A 16 0.216 -0.404 10.827 1.00 44.21 C ATOM 256 O MET A 16 -0.410 0.651 10.747 1.00 75.10 O ATOM 257 CB MET A 16 0.762 -1.370 13.067 1.00 44.05 C ATOM 258 CG MET A 16 0.323 -2.205 14.284 1.00 43.22 C ATOM 259 SD MET A 16 1.463 -2.098 15.703 1.00 12.13 S ATOM 260 CE MET A 16 1.062 -0.403 16.226 1.00 54.11 C ATOM 0 H MET A 16 0.554 -3.415 11.629 1.00 61.13 H new ATOM 0 HA MET A 16 -1.204 -1.282 12.159 1.00 52.52 H new ATOM 0 HB2 MET A 16 1.761 -1.687 12.767 1.00 44.05 H new ATOM 0 HB3 MET A 16 0.836 -0.325 13.368 1.00 44.05 H new ATOM 0 HG2 MET A 16 -0.667 -1.876 14.600 1.00 43.22 H new ATOM 0 HG3 MET A 16 0.231 -3.248 13.982 1.00 43.22 H new ATOM 0 HE1 MET A 16 1.480 -0.219 17.216 1.00 54.11 H new ATOM 0 HE2 MET A 16 1.486 0.307 15.516 1.00 54.11 H new ATOM 0 HE3 MET A 16 -0.020 -0.279 16.261 1.00 54.11 H new ATOM 270 N GLU A 17 1.262 -0.668 10.004 1.00 62.11 N ATOM 271 CA GLU A 17 1.712 0.245 8.966 1.00 75.35 C ATOM 272 C GLU A 17 0.734 0.316 7.809 1.00 62.33 C ATOM 273 O GLU A 17 0.558 1.357 7.174 1.00 54.33 O ATOM 274 CB GLU A 17 3.138 -0.111 8.451 1.00 61.31 C ATOM 275 CG GLU A 17 3.283 -1.466 7.714 1.00 2.10 C ATOM 276 CD GLU A 17 4.733 -1.773 7.331 1.00 20.52 C ATOM 277 OE1 GLU A 17 5.012 -1.847 6.107 1.00 70.31 O ATOM 278 OE2 GLU A 17 5.563 -1.958 8.259 1.00 20.22 O ATOM 0 H GLU A 17 1.808 -1.528 10.056 1.00 62.11 H new ATOM 0 HA GLU A 17 1.759 1.231 9.428 1.00 75.35 H new ATOM 0 HB2 GLU A 17 3.467 0.681 7.778 1.00 61.31 H new ATOM 0 HB3 GLU A 17 3.819 -0.110 9.302 1.00 61.31 H new ATOM 0 HG2 GLU A 17 2.902 -2.265 8.350 1.00 2.10 H new ATOM 0 HG3 GLU A 17 2.668 -1.454 6.814 1.00 2.10 H new ATOM 285 N ALA A 18 0.031 -0.804 7.529 1.00 1.41 N ATOM 286 CA ALA A 18 -1.033 -0.873 6.556 1.00 13.31 C ATOM 287 C ALA A 18 -2.202 0.033 6.905 1.00 21.33 C ATOM 288 O ALA A 18 -2.661 0.813 6.077 1.00 42.41 O ATOM 289 CB ALA A 18 -1.528 -2.320 6.432 1.00 63.31 C ATOM 0 H ALA A 18 0.207 -1.694 7.995 1.00 1.41 H new ATOM 0 HA ALA A 18 -0.624 -0.528 5.607 1.00 13.31 H new ATOM 0 HB1 ALA A 18 -2.331 -2.368 5.697 1.00 63.31 H new ATOM 0 HB2 ALA A 18 -0.705 -2.960 6.113 1.00 63.31 H new ATOM 0 HB3 ALA A 18 -1.900 -2.661 7.398 1.00 63.31 H new ATOM 295 N CYS A 19 -2.646 0.022 8.176 1.00 65.20 N ATOM 296 CA CYS A 19 -3.717 0.860 8.691 1.00 35.03 C ATOM 297 C CYS A 19 -3.294 2.304 8.916 1.00 23.21 C ATOM 298 O CYS A 19 -4.084 3.122 9.372 1.00 42.22 O ATOM 299 CB CYS A 19 -4.230 0.312 10.035 1.00 65.22 C ATOM 300 SG CYS A 19 -5.019 -1.303 9.823 1.00 31.53 S ATOM 0 H CYS A 19 -2.249 -0.594 8.886 1.00 65.20 H new ATOM 0 HA CYS A 19 -4.496 0.841 7.929 1.00 35.03 H new ATOM 0 HB2 CYS A 19 -3.400 0.225 10.736 1.00 65.22 H new ATOM 0 HB3 CYS A 19 -4.942 1.014 10.469 1.00 65.22 H new ATOM 305 N LYS A 20 -2.034 2.684 8.643 1.00 42.20 N ATOM 306 CA LYS A 20 -1.703 4.089 8.521 1.00 65.12 C ATOM 307 C LYS A 20 -1.950 4.559 7.085 1.00 40.21 C ATOM 308 O LYS A 20 -2.613 5.565 6.835 1.00 52.52 O ATOM 309 CB LYS A 20 -0.235 4.295 8.980 1.00 72.41 C ATOM 310 CG LYS A 20 0.243 5.756 9.083 1.00 54.41 C ATOM 311 CD LYS A 20 0.777 6.417 7.802 1.00 32.32 C ATOM 312 CE LYS A 20 2.178 5.945 7.415 1.00 1.43 C ATOM 313 NZ LYS A 20 2.631 6.649 6.200 1.00 42.21 N ATOM 0 H LYS A 20 -1.252 2.043 8.507 1.00 42.20 H new ATOM 0 HA LYS A 20 -2.341 4.698 9.161 1.00 65.12 H new ATOM 0 HB2 LYS A 20 -0.111 3.824 9.955 1.00 72.41 H new ATOM 0 HB3 LYS A 20 0.419 3.768 8.285 1.00 72.41 H new ATOM 0 HG2 LYS A 20 -0.588 6.357 9.451 1.00 54.41 H new ATOM 0 HG3 LYS A 20 1.028 5.801 9.838 1.00 54.41 H new ATOM 0 HD2 LYS A 20 0.091 6.208 6.981 1.00 32.32 H new ATOM 0 HD3 LYS A 20 0.791 7.498 7.938 1.00 32.32 H new ATOM 0 HE2 LYS A 20 2.873 6.132 8.234 1.00 1.43 H new ATOM 0 HE3 LYS A 20 2.173 4.869 7.241 1.00 1.43 H new ATOM 0 HZ1 LYS A 20 3.584 6.322 5.944 1.00 42.21 H new ATOM 0 HZ2 LYS A 20 1.975 6.449 5.418 1.00 42.21 H new ATOM 0 HZ3 LYS A 20 2.653 7.673 6.380 1.00 42.21 H new ATOM 327 N GLN A 21 -1.452 3.807 6.076 1.00 12.15 N ATOM 328 CA GLN A 21 -1.502 4.234 4.683 1.00 23.45 C ATOM 329 C GLN A 21 -2.833 3.986 4.000 1.00 62.14 C ATOM 330 O GLN A 21 -3.297 4.804 3.210 1.00 55.52 O ATOM 331 CB GLN A 21 -0.384 3.564 3.863 1.00 42.43 C ATOM 332 CG GLN A 21 -0.579 2.050 3.682 1.00 74.43 C ATOM 333 CD GLN A 21 0.706 1.331 3.314 1.00 4.44 C ATOM 334 OE1 GLN A 21 1.056 1.109 2.155 1.00 24.54 O ATOM 335 NE2 GLN A 21 1.394 0.881 4.393 1.00 52.53 N ATOM 0 H GLN A 21 -1.011 2.898 6.216 1.00 12.15 H new ATOM 0 HA GLN A 21 -1.360 5.314 4.716 1.00 23.45 H new ATOM 0 HB2 GLN A 21 -0.332 4.035 2.882 1.00 42.43 H new ATOM 0 HB3 GLN A 21 0.573 3.743 4.354 1.00 42.43 H new ATOM 0 HG2 GLN A 21 -0.975 1.627 4.605 1.00 74.43 H new ATOM 0 HG3 GLN A 21 -1.323 1.874 2.905 1.00 74.43 H new ATOM 0 HE21 GLN A 21 1.062 1.092 5.334 1.00 52.53 H new ATOM 0 HE22 GLN A 21 2.243 0.331 4.263 1.00 52.53 H new ATOM 344 N GLU A 22 -3.498 2.856 4.342 1.00 33.14 N ATOM 345 CA GLU A 22 -4.784 2.395 3.819 1.00 73.44 C ATOM 346 C GLU A 22 -5.857 3.398 4.083 1.00 54.33 C ATOM 347 O GLU A 22 -6.753 3.641 3.278 1.00 21.03 O ATOM 348 CB GLU A 22 -5.196 1.032 4.436 1.00 60.13 C ATOM 349 CG GLU A 22 -6.525 0.474 3.867 1.00 0.12 C ATOM 350 CD GLU A 22 -6.853 -0.949 4.312 1.00 70.21 C ATOM 351 OE1 GLU A 22 -6.207 -1.892 3.782 1.00 21.20 O ATOM 352 OE2 GLU A 22 -7.776 -1.103 5.153 1.00 73.13 O ATOM 0 H GLU A 22 -3.118 2.210 5.034 1.00 33.14 H new ATOM 0 HA GLU A 22 -4.662 2.269 2.743 1.00 73.44 H new ATOM 0 HB2 GLU A 22 -4.401 0.307 4.260 1.00 60.13 H new ATOM 0 HB3 GLU A 22 -5.291 1.145 5.516 1.00 60.13 H new ATOM 0 HG2 GLU A 22 -7.340 1.133 4.168 1.00 0.12 H new ATOM 0 HG3 GLU A 22 -6.479 0.500 2.778 1.00 0.12 H new ATOM 359 N LEU A 23 -5.756 3.996 5.270 1.00 20.50 N ATOM 360 CA LEU A 23 -6.759 4.889 5.783 1.00 0.24 C ATOM 361 C LEU A 23 -6.460 6.303 5.309 1.00 1.21 C ATOM 362 O LEU A 23 -7.276 7.205 5.481 1.00 54.33 O ATOM 363 CB LEU A 23 -6.738 4.882 7.314 1.00 63.11 C ATOM 364 CG LEU A 23 -6.860 3.491 7.960 1.00 2.31 C ATOM 365 CD1 LEU A 23 -7.260 3.602 9.432 1.00 13.42 C ATOM 366 CD2 LEU A 23 -7.616 2.379 7.238 1.00 61.14 C ATOM 0 H LEU A 23 -4.963 3.864 5.898 1.00 20.50 H new ATOM 0 HA LEU A 23 -7.736 4.562 5.426 1.00 0.24 H new ATOM 0 HB2 LEU A 23 -5.810 5.343 7.652 1.00 63.11 H new ATOM 0 HB3 LEU A 23 -7.554 5.507 7.676 1.00 63.11 H new ATOM 0 HG LEU A 23 -5.841 3.118 7.855 1.00 2.31 H new ATOM 0 HD11 LEU A 23 -7.339 2.604 9.864 1.00 13.42 H new ATOM 0 HD12 LEU A 23 -6.505 4.172 9.972 1.00 13.42 H new ATOM 0 HD13 LEU A 23 -8.222 4.109 9.510 1.00 13.42 H new ATOM 0 HD21 LEU A 23 -7.597 1.473 7.844 1.00 61.14 H new ATOM 0 HD22 LEU A 23 -8.649 2.686 7.077 1.00 61.14 H new ATOM 0 HD23 LEU A 23 -7.142 2.182 6.276 1.00 61.14 H new ATOM 378 N ASN A 24 -5.259 6.498 4.700 1.00 30.24 N ATOM 379 CA ASN A 24 -4.706 7.763 4.241 1.00 33.44 C ATOM 380 C ASN A 24 -4.568 8.800 5.355 1.00 63.42 C ATOM 381 O ASN A 24 -4.931 9.966 5.219 1.00 43.42 O ATOM 382 CB ASN A 24 -5.544 8.288 3.036 1.00 43.32 C ATOM 383 CG ASN A 24 -4.861 9.381 2.208 1.00 43.12 C ATOM 384 OD1 ASN A 24 -5.419 10.450 1.953 1.00 11.21 O ATOM 385 ND2 ASN A 24 -3.626 9.081 1.726 1.00 20.23 N ATOM 0 H ASN A 24 -4.628 5.718 4.514 1.00 30.24 H new ATOM 0 HA ASN A 24 -3.685 7.583 3.906 1.00 33.44 H new ATOM 0 HB2 ASN A 24 -5.779 7.449 2.381 1.00 43.32 H new ATOM 0 HB3 ASN A 24 -6.492 8.674 3.411 1.00 43.32 H new ATOM 0 HD21 ASN A 24 -3.133 9.750 1.134 1.00 20.23 H new ATOM 0 HD22 ASN A 24 -3.192 8.187 1.956 1.00 20.23 H new ATOM 392 N VAL A 25 -4.011 8.367 6.502 1.00 30.31 N ATOM 393 CA VAL A 25 -3.867 9.173 7.701 1.00 55.42 C ATOM 394 C VAL A 25 -2.387 9.334 8.005 1.00 21.33 C ATOM 395 O VAL A 25 -1.580 8.533 7.534 1.00 25.15 O ATOM 396 CB VAL A 25 -4.607 8.583 8.901 1.00 12.32 C ATOM 397 CG1 VAL A 25 -6.122 8.573 8.618 1.00 15.11 C ATOM 398 CG2 VAL A 25 -4.104 7.161 9.216 1.00 33.24 C ATOM 0 H VAL A 25 -3.644 7.422 6.610 1.00 30.31 H new ATOM 0 HA VAL A 25 -4.322 10.146 7.515 1.00 55.42 H new ATOM 0 HB VAL A 25 -4.410 9.204 9.775 1.00 12.32 H new ATOM 0 HG11 VAL A 25 -6.649 8.152 9.474 1.00 15.11 H new ATOM 0 HG12 VAL A 25 -6.467 9.593 8.445 1.00 15.11 H new ATOM 0 HG13 VAL A 25 -6.323 7.967 7.734 1.00 15.11 H new ATOM 0 HG21 VAL A 25 -4.647 6.765 10.074 1.00 33.24 H new ATOM 0 HG22 VAL A 25 -4.270 6.517 8.352 1.00 33.24 H new ATOM 0 HG23 VAL A 25 -3.039 7.194 9.445 1.00 33.24 H new ATOM 408 N PRO A 26 -1.940 10.350 8.737 1.00 0.43 N ATOM 409 CA PRO A 26 -0.539 10.489 9.106 1.00 32.51 C ATOM 410 C PRO A 26 -0.114 9.530 10.206 1.00 55.41 C ATOM 411 O PRO A 26 -0.930 8.929 10.902 1.00 54.22 O ATOM 412 CB PRO A 26 -0.433 11.957 9.562 1.00 5.32 C ATOM 413 CG PRO A 26 -1.825 12.275 10.110 1.00 13.44 C ATOM 414 CD PRO A 26 -2.739 11.505 9.160 1.00 30.24 C ATOM 0 HA PRO A 26 0.125 10.244 8.277 1.00 32.51 H new ATOM 0 HB2 PRO A 26 0.335 12.084 10.325 1.00 5.32 H new ATOM 0 HB3 PRO A 26 -0.170 12.615 8.733 1.00 5.32 H new ATOM 0 HG2 PRO A 26 -1.940 11.943 11.142 1.00 13.44 H new ATOM 0 HG3 PRO A 26 -2.032 13.345 10.094 1.00 13.44 H new ATOM 0 HD2 PRO A 26 -3.656 11.192 9.659 1.00 30.24 H new ATOM 0 HD3 PRO A 26 -3.033 12.118 8.308 1.00 30.24 H new ATOM 422 N ASP A 27 1.219 9.425 10.393 1.00 65.23 N ATOM 423 CA ASP A 27 1.932 8.602 11.353 1.00 71.52 C ATOM 424 C ASP A 27 1.599 9.048 12.769 1.00 25.23 C ATOM 425 O ASP A 27 1.663 8.280 13.722 1.00 65.50 O ATOM 426 CB ASP A 27 3.456 8.689 11.049 1.00 22.34 C ATOM 427 CG ASP A 27 4.302 7.716 11.872 1.00 33.11 C ATOM 428 OD1 ASP A 27 4.079 6.487 11.735 1.00 50.11 O ATOM 429 OD2 ASP A 27 5.193 8.204 12.614 1.00 25.25 O ATOM 0 H ASP A 27 1.866 9.966 9.819 1.00 65.23 H new ATOM 0 HA ASP A 27 1.626 7.559 11.269 1.00 71.52 H new ATOM 0 HB2 ASP A 27 3.618 8.492 9.989 1.00 22.34 H new ATOM 0 HB3 ASP A 27 3.798 9.706 11.240 1.00 22.34 H new ATOM 434 N ALA A 28 1.198 10.325 12.901 1.00 41.41 N ATOM 435 CA ALA A 28 0.751 10.970 14.103 1.00 15.32 C ATOM 436 C ALA A 28 -0.480 10.334 14.711 1.00 34.23 C ATOM 437 O ALA A 28 -0.677 10.378 15.923 1.00 0.52 O ATOM 438 CB ALA A 28 0.453 12.442 13.784 1.00 4.42 C ATOM 0 H ALA A 28 1.185 10.959 12.102 1.00 41.41 H new ATOM 0 HA ALA A 28 1.548 10.868 14.839 1.00 15.32 H new ATOM 0 HB1 ALA A 28 0.112 12.948 14.687 1.00 4.42 H new ATOM 0 HB2 ALA A 28 1.359 12.925 13.417 1.00 4.42 H new ATOM 0 HB3 ALA A 28 -0.323 12.499 13.021 1.00 4.42 H new ATOM 444 N VAL A 29 -1.362 9.732 13.890 1.00 35.42 N ATOM 445 CA VAL A 29 -2.627 9.283 14.438 1.00 31.55 C ATOM 446 C VAL A 29 -2.657 7.780 14.621 1.00 72.13 C ATOM 447 O VAL A 29 -3.363 7.278 15.491 1.00 61.03 O ATOM 448 CB VAL A 29 -3.794 9.753 13.612 1.00 41.32 C ATOM 449 CG1 VAL A 29 -3.704 11.271 13.322 1.00 44.33 C ATOM 450 CG2 VAL A 29 -4.100 8.864 12.408 1.00 34.41 C ATOM 0 H VAL A 29 -1.221 9.558 12.895 1.00 35.42 H new ATOM 0 HA VAL A 29 -2.722 9.737 15.425 1.00 31.55 H new ATOM 0 HB VAL A 29 -4.692 9.631 14.217 1.00 41.32 H new ATOM 0 HG11 VAL A 29 -4.562 11.579 12.724 1.00 44.33 H new ATOM 0 HG12 VAL A 29 -3.702 11.822 14.263 1.00 44.33 H new ATOM 0 HG13 VAL A 29 -2.785 11.483 12.775 1.00 44.33 H new ATOM 0 HG21 VAL A 29 -4.953 9.269 11.864 1.00 34.41 H new ATOM 0 HG22 VAL A 29 -3.232 8.832 11.750 1.00 34.41 H new ATOM 0 HG23 VAL A 29 -4.333 7.856 12.750 1.00 34.41 H new ATOM 460 N MET A 30 -1.848 6.999 13.867 1.00 12.44 N ATOM 461 CA MET A 30 -1.653 5.584 14.183 1.00 12.13 C ATOM 462 C MET A 30 -0.903 5.421 15.484 1.00 12.21 C ATOM 463 O MET A 30 -1.139 4.474 16.234 1.00 42.14 O ATOM 464 CB MET A 30 -0.935 4.811 13.044 1.00 11.11 C ATOM 465 CG MET A 30 0.553 5.163 12.847 1.00 3.30 C ATOM 466 SD MET A 30 1.752 4.135 13.760 1.00 42.13 S ATOM 467 CE MET A 30 1.601 2.671 12.695 1.00 40.12 C ATOM 0 H MET A 30 -1.332 7.328 13.051 1.00 12.44 H new ATOM 0 HA MET A 30 -2.647 5.149 14.289 1.00 12.13 H new ATOM 0 HB2 MET A 30 -1.015 3.743 13.245 1.00 11.11 H new ATOM 0 HB3 MET A 30 -1.463 5.000 12.109 1.00 11.11 H new ATOM 0 HG2 MET A 30 0.783 5.095 11.784 1.00 3.30 H new ATOM 0 HG3 MET A 30 0.701 6.203 13.139 1.00 3.30 H new ATOM 0 HE1 MET A 30 2.451 2.009 12.864 1.00 40.12 H new ATOM 0 HE2 MET A 30 0.677 2.143 12.931 1.00 40.12 H new ATOM 0 HE3 MET A 30 1.584 2.981 11.650 1.00 40.12 H new ATOM 477 N GLN A 31 -0.013 6.391 15.822 1.00 62.44 N ATOM 478 CA GLN A 31 0.733 6.336 17.051 1.00 11.30 C ATOM 479 C GLN A 31 -0.123 6.653 18.251 1.00 30.13 C ATOM 480 O GLN A 31 0.143 6.219 19.368 1.00 20.32 O ATOM 481 CB GLN A 31 2.049 7.168 16.979 1.00 53.44 C ATOM 482 CG GLN A 31 2.001 8.702 16.862 1.00 51.10 C ATOM 483 CD GLN A 31 1.824 9.402 18.203 1.00 35.12 C ATOM 484 OE1 GLN A 31 2.700 9.398 19.071 1.00 15.04 O ATOM 485 NE2 GLN A 31 0.630 10.019 18.358 1.00 62.50 N ATOM 0 H GLN A 31 0.186 7.208 15.244 1.00 62.44 H new ATOM 0 HA GLN A 31 1.052 5.303 17.189 1.00 11.30 H new ATOM 0 HB2 GLN A 31 2.627 6.932 17.872 1.00 53.44 H new ATOM 0 HB3 GLN A 31 2.616 6.798 16.125 1.00 53.44 H new ATOM 0 HG2 GLN A 31 2.921 9.053 16.395 1.00 51.10 H new ATOM 0 HG3 GLN A 31 1.181 8.984 16.202 1.00 51.10 H new ATOM 0 HE21 GLN A 31 -0.060 9.991 17.607 1.00 62.50 H new ATOM 0 HE22 GLN A 31 0.420 10.512 19.226 1.00 62.50 H new ATOM 494 N ASP A 32 -1.258 7.343 18.020 1.00 50.45 N ATOM 495 CA ASP A 32 -2.250 7.626 19.038 1.00 3.15 C ATOM 496 C ASP A 32 -2.857 6.360 19.632 1.00 33.22 C ATOM 497 O ASP A 32 -3.106 6.292 20.830 1.00 14.31 O ATOM 498 CB ASP A 32 -3.421 8.487 18.501 1.00 53.31 C ATOM 499 CG ASP A 32 -3.145 9.965 18.259 1.00 31.12 C ATOM 500 OD1 ASP A 32 -2.176 10.509 18.840 1.00 32.01 O ATOM 501 OD2 ASP A 32 -3.971 10.575 17.524 1.00 32.04 O ATOM 0 H ASP A 32 -1.500 7.718 17.103 1.00 50.45 H new ATOM 0 HA ASP A 32 -1.703 8.173 19.806 1.00 3.15 H new ATOM 0 HB2 ASP A 32 -3.760 8.049 17.562 1.00 53.31 H new ATOM 0 HB3 ASP A 32 -4.249 8.409 19.206 1.00 53.31 H new ATOM 506 N PHE A 33 -3.096 5.323 18.804 1.00 13.31 N ATOM 507 CA PHE A 33 -3.570 4.025 19.267 1.00 35.33 C ATOM 508 C PHE A 33 -2.644 3.337 20.248 1.00 64.32 C ATOM 509 O PHE A 33 -3.098 2.808 21.254 1.00 4.23 O ATOM 510 CB PHE A 33 -3.916 3.138 18.037 1.00 64.33 C ATOM 511 CG PHE A 33 -4.083 1.652 18.270 1.00 32.32 C ATOM 512 CD1 PHE A 33 -3.245 0.769 17.564 1.00 55.03 C ATOM 513 CD2 PHE A 33 -4.964 1.123 19.226 1.00 45.31 C ATOM 514 CE1 PHE A 33 -3.321 -0.614 17.768 1.00 41.33 C ATOM 515 CE2 PHE A 33 -5.067 -0.264 19.408 1.00 54.41 C ATOM 516 CZ PHE A 33 -4.245 -1.133 18.681 1.00 75.02 C ATOM 0 H PHE A 33 -2.962 5.373 17.794 1.00 13.31 H new ATOM 0 HA PHE A 33 -4.475 4.195 19.851 1.00 35.33 H new ATOM 0 HB2 PHE A 33 -4.840 3.516 17.600 1.00 64.33 H new ATOM 0 HB3 PHE A 33 -3.132 3.275 17.292 1.00 64.33 H new ATOM 0 HD1 PHE A 33 -2.533 1.164 16.855 1.00 55.03 H new ATOM 0 HD2 PHE A 33 -5.567 1.789 19.826 1.00 45.31 H new ATOM 0 HE1 PHE A 33 -2.668 -1.278 17.222 1.00 41.33 H new ATOM 0 HE2 PHE A 33 -5.783 -0.663 20.111 1.00 54.41 H new ATOM 0 HZ PHE A 33 -4.324 -2.201 18.824 1.00 75.02 H new ATOM 526 N PHE A 34 -1.325 3.314 20.022 1.00 64.33 N ATOM 527 CA PHE A 34 -0.454 2.733 21.028 1.00 35.12 C ATOM 528 C PHE A 34 -0.260 3.540 22.298 1.00 50.30 C ATOM 529 O PHE A 34 -0.177 2.999 23.399 1.00 25.13 O ATOM 530 CB PHE A 34 0.895 2.328 20.431 1.00 14.23 C ATOM 531 CG PHE A 34 1.886 3.339 19.959 1.00 4.35 C ATOM 532 CD1 PHE A 34 2.856 3.789 20.866 1.00 25.33 C ATOM 533 CD2 PHE A 34 2.023 3.628 18.593 1.00 12.13 C ATOM 534 CE1 PHE A 34 3.980 4.491 20.417 1.00 2.41 C ATOM 535 CE2 PHE A 34 3.188 4.267 18.135 1.00 72.52 C ATOM 536 CZ PHE A 34 4.157 4.710 19.046 1.00 54.12 C ATOM 0 H PHE A 34 -0.861 3.675 19.188 1.00 64.33 H new ATOM 0 HA PHE A 34 -0.998 1.847 21.355 1.00 35.12 H new ATOM 0 HB2 PHE A 34 1.400 1.719 21.180 1.00 14.23 H new ATOM 0 HB3 PHE A 34 0.681 1.678 19.583 1.00 14.23 H new ATOM 0 HD1 PHE A 34 2.734 3.592 21.921 1.00 25.33 H new ATOM 0 HD2 PHE A 34 1.240 3.362 17.899 1.00 12.13 H new ATOM 0 HE1 PHE A 34 4.707 4.862 21.124 1.00 2.41 H new ATOM 0 HE2 PHE A 34 3.337 4.417 17.076 1.00 72.52 H new ATOM 0 HZ PHE A 34 5.040 5.220 18.690 1.00 54.12 H new ATOM 546 N ASN A 35 -0.263 4.872 22.155 1.00 64.32 N ATOM 547 CA ASN A 35 -0.302 5.842 23.230 1.00 33.45 C ATOM 548 C ASN A 35 -1.575 5.820 24.069 1.00 13.02 C ATOM 549 O ASN A 35 -1.574 6.277 25.206 1.00 24.23 O ATOM 550 CB ASN A 35 -0.070 7.257 22.673 1.00 53.22 C ATOM 551 CG ASN A 35 1.407 7.512 22.365 1.00 22.10 C ATOM 552 OD1 ASN A 35 2.206 7.731 23.278 1.00 55.14 O ATOM 553 ND2 ASN A 35 1.762 7.532 21.063 1.00 32.10 N ATOM 0 H ASN A 35 -0.237 5.313 21.236 1.00 64.32 H new ATOM 0 HA ASN A 35 0.502 5.554 23.908 1.00 33.45 H new ATOM 0 HB2 ASN A 35 -0.659 7.391 21.766 1.00 53.22 H new ATOM 0 HB3 ASN A 35 -0.423 7.994 23.394 1.00 53.22 H new ATOM 0 HD21 ASN A 35 2.727 7.735 20.800 1.00 32.10 H new ATOM 0 HD22 ASN A 35 1.066 7.344 20.342 1.00 32.10 H new ATOM 560 N PHE A 36 -2.682 5.251 23.548 1.00 2.43 N ATOM 561 CA PHE A 36 -3.973 5.079 24.201 1.00 15.41 C ATOM 562 C PHE A 36 -3.837 4.287 25.489 1.00 0.31 C ATOM 563 O PHE A 36 -4.466 4.590 26.499 1.00 4.43 O ATOM 564 CB PHE A 36 -4.928 4.367 23.198 1.00 45.34 C ATOM 565 CG PHE A 36 -6.333 4.163 23.675 1.00 73.35 C ATOM 566 CD1 PHE A 36 -6.657 3.030 24.435 1.00 4.10 C ATOM 567 CD2 PHE A 36 -7.351 5.057 23.313 1.00 32.10 C ATOM 568 CE1 PHE A 36 -7.970 2.802 24.852 1.00 33.44 C ATOM 569 CE2 PHE A 36 -8.661 4.851 23.754 1.00 43.04 C ATOM 570 CZ PHE A 36 -8.966 3.717 24.510 1.00 5.33 C ATOM 0 H PHE A 36 -2.686 4.879 22.598 1.00 2.43 H new ATOM 0 HA PHE A 36 -4.382 6.051 24.476 1.00 15.41 H new ATOM 0 HB2 PHE A 36 -4.957 4.949 22.277 1.00 45.34 H new ATOM 0 HB3 PHE A 36 -4.504 3.395 22.948 1.00 45.34 H new ATOM 0 HD1 PHE A 36 -5.882 2.326 24.701 1.00 4.10 H new ATOM 0 HD2 PHE A 36 -7.121 5.909 22.690 1.00 32.10 H new ATOM 0 HE1 PHE A 36 -8.212 1.925 25.434 1.00 33.44 H new ATOM 0 HE2 PHE A 36 -9.434 5.565 23.511 1.00 43.04 H new ATOM 0 HZ PHE A 36 -9.982 3.547 24.833 1.00 5.33 H new ATOM 580 N TRP A 37 -3.002 3.231 25.458 1.00 34.40 N ATOM 581 CA TRP A 37 -2.834 2.291 26.542 1.00 52.34 C ATOM 582 C TRP A 37 -1.983 2.870 27.667 1.00 52.34 C ATOM 583 O TRP A 37 -1.929 2.309 28.762 1.00 43.33 O ATOM 584 CB TRP A 37 -2.190 0.992 25.999 1.00 61.31 C ATOM 585 CG TRP A 37 -2.978 0.395 24.841 1.00 54.22 C ATOM 586 CD1 TRP A 37 -2.561 0.315 23.542 1.00 5.23 C ATOM 587 CD2 TRP A 37 -4.377 0.042 24.839 1.00 2.31 C ATOM 588 NE1 TRP A 37 -3.597 -0.075 22.725 1.00 25.11 N ATOM 589 CE2 TRP A 37 -4.725 -0.229 23.499 1.00 32.32 C ATOM 590 CE3 TRP A 37 -5.329 -0.035 25.858 1.00 61.15 C ATOM 591 CZ2 TRP A 37 -6.027 -0.555 23.156 1.00 4.01 C ATOM 592 CZ3 TRP A 37 -6.649 -0.357 25.500 1.00 11.11 C ATOM 593 CH2 TRP A 37 -6.998 -0.593 24.164 1.00 64.12 C ATOM 0 H TRP A 37 -2.418 3.018 24.649 1.00 34.40 H new ATOM 0 HA TRP A 37 -3.817 2.072 26.958 1.00 52.34 H new ATOM 0 HB2 TRP A 37 -1.172 1.203 25.672 1.00 61.31 H new ATOM 0 HB3 TRP A 37 -2.121 0.260 26.804 1.00 61.31 H new ATOM 0 HD1 TRP A 37 -1.558 0.528 23.204 1.00 5.23 H new ATOM 0 HE1 TRP A 37 -3.539 -0.225 21.718 1.00 25.11 H new ATOM 0 HE3 TRP A 37 -5.059 0.147 26.888 1.00 61.15 H new ATOM 0 HZ2 TRP A 37 -6.288 -0.775 22.131 1.00 4.01 H new ATOM 0 HZ3 TRP A 37 -7.406 -0.424 26.267 1.00 11.11 H new ATOM 0 HH2 TRP A 37 -8.026 -0.806 23.909 1.00 64.12 H new ATOM 604 N LYS A 38 -1.289 4.014 27.424 1.00 53.10 N ATOM 605 CA LYS A 38 -0.493 4.704 28.432 1.00 24.33 C ATOM 606 C LYS A 38 -1.341 5.229 29.588 1.00 4.34 C ATOM 607 O LYS A 38 -2.315 5.959 29.402 1.00 35.15 O ATOM 608 CB LYS A 38 0.276 5.904 27.813 1.00 62.53 C ATOM 609 CG LYS A 38 1.213 6.691 28.755 1.00 50.21 C ATOM 610 CD LYS A 38 2.393 5.885 29.333 1.00 15.13 C ATOM 611 CE LYS A 38 3.401 5.414 28.283 1.00 40.13 C ATOM 612 NZ LYS A 38 4.515 4.711 28.950 1.00 61.00 N ATOM 0 H LYS A 38 -1.277 4.472 26.513 1.00 53.10 H new ATOM 0 HA LYS A 38 0.207 3.962 28.816 1.00 24.33 H new ATOM 0 HB2 LYS A 38 0.869 5.533 26.977 1.00 62.53 H new ATOM 0 HB3 LYS A 38 -0.455 6.600 27.402 1.00 62.53 H new ATOM 0 HG2 LYS A 38 1.611 7.548 28.212 1.00 50.21 H new ATOM 0 HG3 LYS A 38 0.623 7.084 29.583 1.00 50.21 H new ATOM 0 HD2 LYS A 38 2.912 6.498 30.070 1.00 15.13 H new ATOM 0 HD3 LYS A 38 2.001 5.016 29.861 1.00 15.13 H new ATOM 0 HE2 LYS A 38 2.914 4.750 27.568 1.00 40.13 H new ATOM 0 HE3 LYS A 38 3.780 6.266 27.720 1.00 40.13 H new ATOM 0 HZ1 LYS A 38 5.200 4.391 28.236 1.00 61.00 H new ATOM 0 HZ2 LYS A 38 4.985 5.358 29.615 1.00 61.00 H new ATOM 0 HZ3 LYS A 38 4.146 3.889 29.469 1.00 61.00 H new ATOM 626 N GLU A 39 -0.967 4.897 30.848 1.00 34.04 N ATOM 627 CA GLU A 39 -1.675 5.397 32.010 1.00 73.32 C ATOM 628 C GLU A 39 -1.457 6.893 32.176 1.00 64.21 C ATOM 629 O GLU A 39 -0.334 7.389 32.124 1.00 23.12 O ATOM 630 CB GLU A 39 -1.252 4.660 33.308 1.00 52.33 C ATOM 631 CG GLU A 39 -1.652 3.161 33.304 1.00 34.03 C ATOM 632 CD GLU A 39 -1.270 2.412 34.585 1.00 42.23 C ATOM 633 OE1 GLU A 39 -0.670 3.032 35.500 1.00 3.12 O ATOM 634 OE2 GLU A 39 -1.594 1.197 34.647 1.00 51.01 O ATOM 0 H GLU A 39 -0.180 4.286 31.066 1.00 34.04 H new ATOM 0 HA GLU A 39 -2.735 5.205 31.841 1.00 73.32 H new ATOM 0 HB2 GLU A 39 -0.172 4.743 33.433 1.00 52.33 H new ATOM 0 HB3 GLU A 39 -1.711 5.152 34.166 1.00 52.33 H new ATOM 0 HG2 GLU A 39 -2.729 3.083 33.157 1.00 34.03 H new ATOM 0 HG3 GLU A 39 -1.178 2.671 32.453 1.00 34.03 H new ATOM 641 N GLY A 40 -2.561 7.651 32.362 1.00 52.54 N ATOM 642 CA GLY A 40 -2.513 9.103 32.425 1.00 11.11 C ATOM 643 C GLY A 40 -2.750 9.777 31.098 1.00 41.23 C ATOM 644 O GLY A 40 -2.883 10.996 31.055 1.00 22.53 O ATOM 0 H GLY A 40 -3.498 7.263 32.470 1.00 52.54 H new ATOM 0 HA2 GLY A 40 -3.261 9.451 33.138 1.00 11.11 H new ATOM 0 HA3 GLY A 40 -1.540 9.409 32.809 1.00 11.11 H new ATOM 648 N TYR A 41 -2.820 9.028 29.971 1.00 1.11 N ATOM 649 CA TYR A 41 -3.131 9.598 28.677 1.00 60.41 C ATOM 650 C TYR A 41 -4.584 9.472 28.319 1.00 51.41 C ATOM 651 O TYR A 41 -5.226 8.438 28.485 1.00 43.04 O ATOM 652 CB TYR A 41 -2.290 8.998 27.521 1.00 51.21 C ATOM 653 CG TYR A 41 -0.871 9.515 27.423 1.00 44.31 C ATOM 654 CD1 TYR A 41 -0.217 9.280 26.205 1.00 34.31 C ATOM 655 CD2 TYR A 41 -0.195 10.261 28.410 1.00 42.52 C ATOM 656 CE1 TYR A 41 1.072 9.767 25.964 1.00 12.52 C ATOM 657 CE2 TYR A 41 1.105 10.739 28.181 1.00 30.05 C ATOM 658 CZ TYR A 41 1.737 10.496 26.956 1.00 41.43 C ATOM 659 OH TYR A 41 3.031 11.001 26.713 1.00 2.11 O ATOM 0 H TYR A 41 -2.661 8.021 29.953 1.00 1.11 H new ATOM 0 HA TYR A 41 -2.875 10.652 28.787 1.00 60.41 H new ATOM 0 HB2 TYR A 41 -2.258 7.915 27.640 1.00 51.21 H new ATOM 0 HB3 TYR A 41 -2.800 9.200 26.579 1.00 51.21 H new ATOM 0 HD1 TYR A 41 -0.719 8.711 25.437 1.00 34.31 H new ATOM 0 HD2 TYR A 41 -0.682 10.467 29.352 1.00 42.52 H new ATOM 0 HE1 TYR A 41 1.553 9.581 25.015 1.00 12.52 H new ATOM 0 HE2 TYR A 41 1.618 11.295 28.951 1.00 30.05 H new ATOM 0 HH TYR A 41 3.348 11.484 27.505 1.00 2.11 H new ATOM 669 N GLN A 42 -5.123 10.575 27.762 1.00 22.13 N ATOM 670 CA GLN A 42 -6.381 10.568 27.091 1.00 54.33 C ATOM 671 C GLN A 42 -6.115 10.774 25.615 1.00 0.32 C ATOM 672 O GLN A 42 -5.461 11.721 25.179 1.00 53.44 O ATOM 673 CB GLN A 42 -7.366 11.612 27.668 1.00 35.33 C ATOM 674 CG GLN A 42 -7.035 13.097 27.450 1.00 52.23 C ATOM 675 CD GLN A 42 -5.961 13.642 28.392 1.00 73.35 C ATOM 676 OE1 GLN A 42 -6.229 13.936 29.559 1.00 64.00 O ATOM 677 NE2 GLN A 42 -4.711 13.791 27.875 1.00 34.53 N ATOM 0 H GLN A 42 -4.671 11.489 27.781 1.00 22.13 H new ATOM 0 HA GLN A 42 -6.876 9.609 27.245 1.00 54.33 H new ATOM 0 HB2 GLN A 42 -8.349 11.420 27.238 1.00 35.33 H new ATOM 0 HB3 GLN A 42 -7.448 11.440 28.741 1.00 35.33 H new ATOM 0 HG2 GLN A 42 -6.705 13.237 26.421 1.00 52.23 H new ATOM 0 HG3 GLN A 42 -7.945 13.683 27.576 1.00 52.23 H new ATOM 0 HE21 GLN A 42 -4.527 13.537 26.904 1.00 34.53 H new ATOM 0 HE22 GLN A 42 -3.958 14.157 28.458 1.00 34.53 H new ATOM 686 N ILE A 43 -6.630 9.840 24.808 1.00 12.21 N ATOM 687 CA ILE A 43 -6.749 9.952 23.374 1.00 34.43 C ATOM 688 C ILE A 43 -8.200 10.259 23.060 1.00 34.20 C ATOM 689 O ILE A 43 -9.114 9.533 23.447 1.00 70.11 O ATOM 690 CB ILE A 43 -6.326 8.666 22.716 1.00 50.30 C ATOM 691 CG1 ILE A 43 -4.862 8.309 23.054 1.00 74.35 C ATOM 692 CG2 ILE A 43 -6.571 8.680 21.192 1.00 12.40 C ATOM 693 CD1 ILE A 43 -3.779 9.250 22.515 1.00 22.10 C ATOM 0 H ILE A 43 -6.986 8.953 25.164 1.00 12.21 H new ATOM 0 HA ILE A 43 -6.104 10.745 22.995 1.00 34.43 H new ATOM 0 HB ILE A 43 -6.958 7.880 23.128 1.00 50.30 H new ATOM 0 HG12 ILE A 43 -4.765 8.265 24.139 1.00 74.35 H new ATOM 0 HG13 ILE A 43 -4.661 7.307 22.675 1.00 74.35 H new ATOM 0 HG21 ILE A 43 -6.250 7.731 20.763 1.00 12.40 H new ATOM 0 HG22 ILE A 43 -7.633 8.826 20.996 1.00 12.40 H new ATOM 0 HG23 ILE A 43 -6.003 9.493 20.740 1.00 12.40 H new ATOM 0 HD11 ILE A 43 -2.797 8.889 22.822 1.00 22.10 H new ATOM 0 HD12 ILE A 43 -3.831 9.279 21.427 1.00 22.10 H new ATOM 0 HD13 ILE A 43 -3.937 10.252 22.913 1.00 22.10 H new ATOM 705 N THR A 44 -8.430 11.381 22.355 1.00 10.43 N ATOM 706 CA THR A 44 -9.749 11.941 22.081 1.00 4.42 C ATOM 707 C THR A 44 -9.992 12.047 20.589 1.00 40.34 C ATOM 708 O THR A 44 -11.022 12.548 20.149 1.00 42.15 O ATOM 709 CB THR A 44 -9.952 13.312 22.728 1.00 41.42 C ATOM 710 OG1 THR A 44 -8.980 14.261 22.295 1.00 0.32 O ATOM 711 CG2 THR A 44 -9.853 13.199 24.262 1.00 33.13 C ATOM 0 H THR A 44 -7.674 11.934 21.951 1.00 10.43 H new ATOM 0 HA THR A 44 -10.470 11.253 22.522 1.00 4.42 H new ATOM 0 HB THR A 44 -10.942 13.654 22.426 1.00 41.42 H new ATOM 0 HG1 THR A 44 -9.147 15.123 22.731 1.00 0.32 H new ATOM 0 HG21 THR A 44 -9.999 14.182 24.709 1.00 33.13 H new ATOM 0 HG22 THR A 44 -10.620 12.516 24.627 1.00 33.13 H new ATOM 0 HG23 THR A 44 -8.869 12.819 24.536 1.00 33.13 H new ATOM 719 N ASN A 45 -9.018 11.599 19.770 1.00 60.02 N ATOM 720 CA ASN A 45 -8.948 11.896 18.361 1.00 60.45 C ATOM 721 C ASN A 45 -9.680 10.865 17.538 1.00 12.35 C ATOM 722 O ASN A 45 -9.471 9.666 17.683 1.00 63.01 O ATOM 723 CB ASN A 45 -7.465 12.008 17.932 1.00 23.15 C ATOM 724 CG ASN A 45 -7.325 12.586 16.525 1.00 70.53 C ATOM 725 OD1 ASN A 45 -8.124 13.418 16.089 1.00 24.24 O ATOM 726 ND2 ASN A 45 -6.295 12.104 15.790 1.00 45.30 N ATOM 0 H ASN A 45 -8.252 11.010 20.096 1.00 60.02 H new ATOM 0 HA ASN A 45 -9.443 12.850 18.180 1.00 60.45 H new ATOM 0 HB2 ASN A 45 -6.928 12.640 18.640 1.00 23.15 H new ATOM 0 HB3 ASN A 45 -7.000 11.023 17.968 1.00 23.15 H new ATOM 0 HD21 ASN A 45 -6.155 12.429 14.833 1.00 45.30 H new ATOM 0 HD22 ASN A 45 -5.659 11.416 16.193 1.00 45.30 H new ATOM 733 N ARG A 46 -10.521 11.332 16.594 1.00 25.22 N ATOM 734 CA ARG A 46 -11.395 10.526 15.767 1.00 62.24 C ATOM 735 C ARG A 46 -10.665 9.518 14.903 1.00 51.12 C ATOM 736 O ARG A 46 -11.129 8.403 14.695 1.00 33.10 O ATOM 737 CB ARG A 46 -12.257 11.454 14.896 1.00 3.43 C ATOM 738 CG ARG A 46 -11.455 12.301 13.896 1.00 10.32 C ATOM 739 CD ARG A 46 -12.331 13.399 13.291 1.00 72.20 C ATOM 740 NE ARG A 46 -13.391 12.739 12.459 1.00 43.13 N ATOM 741 CZ ARG A 46 -14.387 13.439 11.839 1.00 11.21 C ATOM 742 NH1 ARG A 46 -14.422 14.798 11.915 1.00 42.00 N ATOM 743 NH2 ARG A 46 -15.342 12.753 11.147 1.00 63.24 N ATOM 0 H ARG A 46 -10.601 12.328 16.390 1.00 25.22 H new ATOM 0 HA ARG A 46 -12.019 9.937 16.440 1.00 62.24 H new ATOM 0 HB2 ARG A 46 -12.980 10.851 14.347 1.00 3.43 H new ATOM 0 HB3 ARG A 46 -12.825 12.120 15.546 1.00 3.43 H new ATOM 0 HG2 ARG A 46 -10.597 12.749 14.397 1.00 10.32 H new ATOM 0 HG3 ARG A 46 -11.064 11.663 13.103 1.00 10.32 H new ATOM 0 HD2 ARG A 46 -12.784 14.002 14.078 1.00 72.20 H new ATOM 0 HD3 ARG A 46 -11.730 14.072 12.679 1.00 72.20 H new ATOM 0 HE ARG A 46 -13.367 11.725 12.352 1.00 43.13 H new ATOM 0 HH11 ARG A 46 -13.702 15.298 12.437 1.00 42.00 H new ATOM 0 HH12 ARG A 46 -15.168 15.316 11.450 1.00 42.00 H new ATOM 0 HH21 ARG A 46 -15.305 11.735 11.099 1.00 63.24 H new ATOM 0 HH22 ARG A 46 -16.093 13.258 10.678 1.00 63.24 H new ATOM 757 N GLU A 47 -9.441 9.859 14.454 1.00 0.13 N ATOM 758 CA GLU A 47 -8.536 8.955 13.798 1.00 1.11 C ATOM 759 C GLU A 47 -8.082 7.791 14.615 1.00 32.13 C ATOM 760 O GLU A 47 -7.803 6.738 14.047 1.00 25.24 O ATOM 761 CB GLU A 47 -7.298 9.683 13.265 1.00 22.13 C ATOM 762 CG GLU A 47 -7.528 10.368 11.907 1.00 1.12 C ATOM 763 CD GLU A 47 -6.628 11.558 11.595 1.00 24.45 C ATOM 764 OE1 GLU A 47 -6.588 12.497 12.433 1.00 62.25 O ATOM 765 OE2 GLU A 47 -5.981 11.540 10.516 1.00 34.22 O ATOM 0 H GLU A 47 -9.064 10.802 14.551 1.00 0.13 H new ATOM 0 HA GLU A 47 -9.136 8.552 12.983 1.00 1.11 H new ATOM 0 HB2 GLU A 47 -6.985 10.432 13.993 1.00 22.13 H new ATOM 0 HB3 GLU A 47 -6.479 8.970 13.169 1.00 22.13 H new ATOM 0 HG2 GLU A 47 -7.398 9.624 11.121 1.00 1.12 H new ATOM 0 HG3 GLU A 47 -8.565 10.701 11.862 1.00 1.12 H new ATOM 772 N ALA A 48 -8.009 7.929 15.954 1.00 63.13 N ATOM 773 CA ALA A 48 -7.628 6.793 16.787 1.00 2.05 C ATOM 774 C ALA A 48 -8.570 5.608 16.606 1.00 64.14 C ATOM 775 O ALA A 48 -8.134 4.480 16.436 1.00 14.31 O ATOM 776 CB ALA A 48 -7.583 7.151 18.291 1.00 74.44 C ATOM 0 H ALA A 48 -8.204 8.792 16.461 1.00 63.13 H new ATOM 0 HA ALA A 48 -6.627 6.519 16.454 1.00 2.05 H new ATOM 0 HB1 ALA A 48 -7.294 6.271 18.866 1.00 74.44 H new ATOM 0 HB2 ALA A 48 -6.855 7.946 18.454 1.00 74.44 H new ATOM 0 HB3 ALA A 48 -8.568 7.489 18.614 1.00 74.44 H new ATOM 782 N GLY A 49 -9.896 5.840 16.531 1.00 74.14 N ATOM 783 CA GLY A 49 -10.872 4.784 16.280 1.00 52.24 C ATOM 784 C GLY A 49 -10.744 4.177 14.924 1.00 52.32 C ATOM 785 O GLY A 49 -10.936 2.975 14.766 1.00 44.53 O ATOM 0 H GLY A 49 -10.310 6.765 16.644 1.00 74.14 H new ATOM 0 HA2 GLY A 49 -10.756 4.004 17.033 1.00 52.24 H new ATOM 0 HA3 GLY A 49 -11.876 5.191 16.395 1.00 52.24 H new ATOM 789 N CYS A 50 -10.418 5.012 13.908 1.00 61.45 N ATOM 790 CA CYS A 50 -10.278 4.605 12.525 1.00 53.33 C ATOM 791 C CYS A 50 -9.139 3.619 12.369 1.00 12.14 C ATOM 792 O CYS A 50 -9.269 2.623 11.662 1.00 64.13 O ATOM 793 CB CYS A 50 -10.012 5.810 11.582 1.00 62.23 C ATOM 794 SG CYS A 50 -11.377 7.016 11.434 1.00 62.20 S ATOM 0 H CYS A 50 -10.245 6.007 14.051 1.00 61.45 H new ATOM 0 HA CYS A 50 -11.224 4.141 12.245 1.00 53.33 H new ATOM 0 HB2 CYS A 50 -9.124 6.335 11.935 1.00 62.23 H new ATOM 0 HB3 CYS A 50 -9.781 5.426 10.588 1.00 62.23 H new ATOM 799 N VAL A 51 -7.992 3.856 13.054 1.00 61.45 N ATOM 800 CA VAL A 51 -6.917 2.871 13.092 1.00 52.44 C ATOM 801 C VAL A 51 -7.311 1.641 13.869 1.00 15.41 C ATOM 802 O VAL A 51 -7.098 0.529 13.407 1.00 0.42 O ATOM 803 CB VAL A 51 -5.553 3.447 13.529 1.00 2.13 C ATOM 804 CG1 VAL A 51 -5.567 4.264 14.833 1.00 53.02 C ATOM 805 CG2 VAL A 51 -4.545 2.307 13.799 1.00 22.34 C ATOM 0 H VAL A 51 -7.803 4.712 13.576 1.00 61.45 H new ATOM 0 HA VAL A 51 -6.763 2.560 12.059 1.00 52.44 H new ATOM 0 HB VAL A 51 -5.283 4.099 12.698 1.00 2.13 H new ATOM 0 HG11 VAL A 51 -4.560 4.622 15.049 1.00 53.02 H new ATOM 0 HG12 VAL A 51 -6.239 5.115 14.722 1.00 53.02 H new ATOM 0 HG13 VAL A 51 -5.912 3.634 15.653 1.00 53.02 H new ATOM 0 HG21 VAL A 51 -3.589 2.732 14.106 1.00 22.34 H new ATOM 0 HG22 VAL A 51 -4.927 1.663 14.591 1.00 22.34 H new ATOM 0 HG23 VAL A 51 -4.407 1.721 12.890 1.00 22.34 H new ATOM 815 N ILE A 52 -7.983 1.787 15.022 1.00 12.24 N ATOM 816 CA ILE A 52 -8.316 0.674 15.908 1.00 55.31 C ATOM 817 C ILE A 52 -9.179 -0.378 15.238 1.00 31.20 C ATOM 818 O ILE A 52 -8.890 -1.571 15.309 1.00 3.54 O ATOM 819 CB ILE A 52 -8.996 1.203 17.169 1.00 20.50 C ATOM 820 CG1 ILE A 52 -7.973 1.954 18.042 1.00 11.54 C ATOM 821 CG2 ILE A 52 -9.700 0.069 17.945 1.00 4.30 C ATOM 822 CD1 ILE A 52 -8.484 2.980 19.074 1.00 64.01 C ATOM 0 H ILE A 52 -8.311 2.691 15.363 1.00 12.24 H new ATOM 0 HA ILE A 52 -7.381 0.181 16.173 1.00 55.31 H new ATOM 0 HB ILE A 52 -9.774 1.909 16.879 1.00 20.50 H new ATOM 0 HG12 ILE A 52 -7.389 1.208 18.581 1.00 11.54 H new ATOM 0 HG13 ILE A 52 -7.287 2.473 17.373 1.00 11.54 H new ATOM 0 HG21 ILE A 52 -10.174 0.478 18.837 1.00 4.30 H new ATOM 0 HG22 ILE A 52 -10.457 -0.391 17.310 1.00 4.30 H new ATOM 0 HG23 ILE A 52 -8.966 -0.682 18.237 1.00 4.30 H new ATOM 0 HD11 ILE A 52 -7.637 3.417 19.603 1.00 64.01 H new ATOM 0 HD12 ILE A 52 -9.037 3.767 18.561 1.00 64.01 H new ATOM 0 HD13 ILE A 52 -9.140 2.482 19.788 1.00 64.01 H new ATOM 834 N LEU A 53 -10.236 0.048 14.522 1.00 30.52 N ATOM 835 CA LEU A 53 -11.130 -0.847 13.818 1.00 14.21 C ATOM 836 C LEU A 53 -10.482 -1.561 12.651 1.00 63.50 C ATOM 837 O LEU A 53 -10.834 -2.687 12.309 1.00 65.24 O ATOM 838 CB LEU A 53 -12.426 -0.087 13.415 1.00 11.10 C ATOM 839 CG LEU A 53 -12.300 1.138 12.473 1.00 11.42 C ATOM 840 CD1 LEU A 53 -12.068 0.826 10.987 1.00 63.10 C ATOM 841 CD2 LEU A 53 -13.551 2.025 12.602 1.00 12.35 C ATOM 0 H LEU A 53 -10.483 1.033 14.424 1.00 30.52 H new ATOM 0 HA LEU A 53 -11.398 -1.650 14.505 1.00 14.21 H new ATOM 0 HB2 LEU A 53 -13.097 -0.803 12.940 1.00 11.10 H new ATOM 0 HB3 LEU A 53 -12.913 0.247 14.331 1.00 11.10 H new ATOM 0 HG LEU A 53 -11.396 1.645 12.809 1.00 11.42 H new ATOM 0 HD11 LEU A 53 -11.996 1.758 10.426 1.00 63.10 H new ATOM 0 HD12 LEU A 53 -11.142 0.262 10.874 1.00 63.10 H new ATOM 0 HD13 LEU A 53 -12.901 0.236 10.605 1.00 63.10 H new ATOM 0 HD21 LEU A 53 -13.458 2.884 11.938 1.00 12.35 H new ATOM 0 HD22 LEU A 53 -14.435 1.449 12.328 1.00 12.35 H new ATOM 0 HD23 LEU A 53 -13.648 2.370 13.631 1.00 12.35 H new ATOM 853 N CYS A 54 -9.477 -0.903 12.042 1.00 32.32 N ATOM 854 CA CYS A 54 -8.655 -1.416 10.966 1.00 32.13 C ATOM 855 C CYS A 54 -7.841 -2.629 11.382 1.00 3.45 C ATOM 856 O CYS A 54 -7.786 -3.591 10.617 1.00 3.33 O ATOM 857 CB CYS A 54 -7.772 -0.297 10.355 1.00 11.35 C ATOM 858 SG CYS A 54 -6.764 -0.813 8.929 1.00 22.43 S ATOM 0 H CYS A 54 -9.216 0.046 12.311 1.00 32.32 H new ATOM 0 HA CYS A 54 -9.330 -1.764 10.184 1.00 32.13 H new ATOM 0 HB2 CYS A 54 -8.416 0.527 10.048 1.00 11.35 H new ATOM 0 HB3 CYS A 54 -7.109 0.088 11.130 1.00 11.35 H new ATOM 863 N LEU A 55 -7.221 -2.684 12.602 1.00 51.04 N ATOM 864 CA LEU A 55 -6.525 -3.870 13.026 1.00 33.00 C ATOM 865 C LEU A 55 -7.391 -5.082 13.105 1.00 30.53 C ATOM 866 O LEU A 55 -6.959 -6.158 12.726 1.00 1.41 O ATOM 867 CB LEU A 55 -5.911 -3.580 14.371 1.00 54.34 C ATOM 868 CG LEU A 55 -4.668 -2.677 14.280 1.00 61.22 C ATOM 869 CD1 LEU A 55 -3.470 -3.433 13.693 1.00 61.44 C ATOM 870 CD2 LEU A 55 -4.761 -1.276 13.685 1.00 73.14 C ATOM 0 H LEU A 55 -7.207 -1.918 13.275 1.00 51.04 H new ATOM 0 HA LEU A 55 -5.769 -4.105 12.277 1.00 33.00 H new ATOM 0 HB2 LEU A 55 -6.655 -3.103 15.009 1.00 54.34 H new ATOM 0 HB3 LEU A 55 -5.637 -4.520 14.850 1.00 54.34 H new ATOM 0 HG LEU A 55 -4.539 -2.439 15.336 1.00 61.22 H new ATOM 0 HD11 LEU A 55 -2.609 -2.767 13.642 1.00 61.44 H new ATOM 0 HD12 LEU A 55 -3.232 -4.286 14.328 1.00 61.44 H new ATOM 0 HD13 LEU A 55 -3.717 -3.784 12.691 1.00 61.44 H new ATOM 0 HD21 LEU A 55 -3.779 -0.803 13.712 1.00 73.14 H new ATOM 0 HD22 LEU A 55 -5.104 -1.341 12.653 1.00 73.14 H new ATOM 0 HD23 LEU A 55 -5.466 -0.681 14.265 1.00 73.14 H new ATOM 882 N ALA A 56 -8.645 -4.921 13.540 1.00 75.01 N ATOM 883 CA ALA A 56 -9.586 -5.990 13.779 1.00 63.31 C ATOM 884 C ALA A 56 -9.829 -6.907 12.597 1.00 22.24 C ATOM 885 O ALA A 56 -9.949 -8.122 12.737 1.00 41.43 O ATOM 886 CB ALA A 56 -10.918 -5.382 14.237 1.00 2.51 C ATOM 0 H ALA A 56 -9.036 -4.000 13.740 1.00 75.01 H new ATOM 0 HA ALA A 56 -9.139 -6.621 14.547 1.00 63.31 H new ATOM 0 HB1 ALA A 56 -11.638 -6.180 14.421 1.00 2.51 H new ATOM 0 HB2 ALA A 56 -10.763 -4.815 15.155 1.00 2.51 H new ATOM 0 HB3 ALA A 56 -11.301 -4.719 13.461 1.00 2.51 H new ATOM 892 N LYS A 57 -9.875 -6.330 11.385 1.00 4.02 N ATOM 893 CA LYS A 57 -9.894 -7.096 10.152 1.00 21.30 C ATOM 894 C LYS A 57 -8.574 -7.814 9.867 1.00 5.54 C ATOM 895 O LYS A 57 -8.537 -8.942 9.376 1.00 34.24 O ATOM 896 CB LYS A 57 -10.245 -6.179 8.955 1.00 34.40 C ATOM 897 CG LYS A 57 -11.677 -5.620 9.015 1.00 40.44 C ATOM 898 CD LYS A 57 -12.009 -4.724 7.810 1.00 40.40 C ATOM 899 CE LYS A 57 -13.420 -4.138 7.868 1.00 62.33 C ATOM 900 NZ LYS A 57 -13.688 -3.365 6.639 1.00 43.21 N ATOM 0 H LYS A 57 -9.900 -5.320 11.245 1.00 4.02 H new ATOM 0 HA LYS A 57 -10.659 -7.862 10.282 1.00 21.30 H new ATOM 0 HB2 LYS A 57 -9.539 -5.349 8.923 1.00 34.40 H new ATOM 0 HB3 LYS A 57 -10.120 -6.739 8.028 1.00 34.40 H new ATOM 0 HG2 LYS A 57 -12.385 -6.447 9.055 1.00 40.44 H new ATOM 0 HG3 LYS A 57 -11.802 -5.048 9.935 1.00 40.44 H new ATOM 0 HD2 LYS A 57 -11.286 -3.910 7.760 1.00 40.40 H new ATOM 0 HD3 LYS A 57 -11.900 -5.303 6.893 1.00 40.40 H new ATOM 0 HE2 LYS A 57 -14.153 -4.938 7.973 1.00 62.33 H new ATOM 0 HE3 LYS A 57 -13.522 -3.496 8.743 1.00 62.33 H new ATOM 0 HZ1 LYS A 57 -14.648 -2.968 6.681 1.00 43.21 H new ATOM 0 HZ2 LYS A 57 -12.997 -2.592 6.557 1.00 43.21 H new ATOM 0 HZ3 LYS A 57 -13.608 -3.990 5.812 1.00 43.21 H new ATOM 914 N LYS A 58 -7.438 -7.157 10.167 1.00 0.33 N ATOM 915 CA LYS A 58 -6.103 -7.527 9.753 1.00 75.24 C ATOM 916 C LYS A 58 -5.346 -8.302 10.827 1.00 43.40 C ATOM 917 O LYS A 58 -4.128 -8.221 10.956 1.00 5.41 O ATOM 918 CB LYS A 58 -5.316 -6.257 9.367 1.00 5.03 C ATOM 919 CG LYS A 58 -5.847 -5.517 8.131 1.00 75.33 C ATOM 920 CD LYS A 58 -4.879 -4.394 7.725 1.00 60.15 C ATOM 921 CE LYS A 58 -5.368 -3.495 6.592 1.00 21.21 C ATOM 922 NZ LYS A 58 -5.424 -4.230 5.313 1.00 11.21 N ATOM 0 H LYS A 58 -7.445 -6.310 10.736 1.00 0.33 H new ATOM 0 HA LYS A 58 -6.199 -8.190 8.893 1.00 75.24 H new ATOM 0 HB2 LYS A 58 -5.324 -5.571 10.214 1.00 5.03 H new ATOM 0 HB3 LYS A 58 -4.276 -6.532 9.189 1.00 5.03 H new ATOM 0 HG2 LYS A 58 -5.970 -6.217 7.305 1.00 75.33 H new ATOM 0 HG3 LYS A 58 -6.831 -5.099 8.344 1.00 75.33 H new ATOM 0 HD2 LYS A 58 -4.679 -3.774 8.599 1.00 60.15 H new ATOM 0 HD3 LYS A 58 -3.931 -4.842 7.429 1.00 60.15 H new ATOM 0 HE2 LYS A 58 -6.357 -3.106 6.834 1.00 21.21 H new ATOM 0 HE3 LYS A 58 -4.703 -2.637 6.492 1.00 21.21 H new ATOM 0 HZ1 LYS A 58 -5.678 -3.574 4.547 1.00 11.21 H new ATOM 0 HZ2 LYS A 58 -4.495 -4.652 5.114 1.00 11.21 H new ATOM 0 HZ3 LYS A 58 -6.139 -4.982 5.376 1.00 11.21 H new ATOM 936 N LEU A 59 -6.057 -9.119 11.624 1.00 11.35 N ATOM 937 CA LEU A 59 -5.491 -9.892 12.730 1.00 23.11 C ATOM 938 C LEU A 59 -4.780 -11.104 12.231 1.00 61.00 C ATOM 939 O LEU A 59 -3.795 -11.575 12.773 1.00 45.14 O ATOM 940 CB LEU A 59 -6.512 -10.416 13.750 1.00 15.31 C ATOM 941 CG LEU A 59 -7.268 -9.291 14.460 1.00 14.22 C ATOM 942 CD1 LEU A 59 -8.297 -9.884 15.435 1.00 21.23 C ATOM 943 CD2 LEU A 59 -6.453 -8.115 14.991 1.00 2.14 C ATOM 0 H LEU A 59 -7.061 -9.259 11.510 1.00 11.35 H new ATOM 0 HA LEU A 59 -4.832 -9.174 13.219 1.00 23.11 H new ATOM 0 HB2 LEU A 59 -7.226 -11.064 13.243 1.00 15.31 H new ATOM 0 HB3 LEU A 59 -5.998 -11.027 14.492 1.00 15.31 H new ATOM 0 HG LEU A 59 -7.810 -8.761 13.676 1.00 14.22 H new ATOM 0 HD11 LEU A 59 -8.831 -9.077 15.936 1.00 21.23 H new ATOM 0 HD12 LEU A 59 -9.007 -10.501 14.884 1.00 21.23 H new ATOM 0 HD13 LEU A 59 -7.784 -10.496 16.177 1.00 21.23 H new ATOM 0 HD21 LEU A 59 -7.119 -7.397 15.468 1.00 2.14 H new ATOM 0 HD22 LEU A 59 -5.726 -8.475 15.719 1.00 2.14 H new ATOM 0 HD23 LEU A 59 -5.931 -7.632 14.165 1.00 2.14 H new ATOM 955 N GLU A 60 -5.286 -11.617 11.116 1.00 33.20 N ATOM 956 CA GLU A 60 -4.728 -12.740 10.385 1.00 25.35 C ATOM 957 C GLU A 60 -3.337 -12.460 9.827 1.00 11.32 C ATOM 958 O GLU A 60 -2.612 -13.366 9.429 1.00 51.42 O ATOM 959 CB GLU A 60 -5.708 -13.197 9.274 1.00 3.23 C ATOM 960 CG GLU A 60 -5.985 -12.202 8.120 1.00 22.04 C ATOM 961 CD GLU A 60 -7.047 -12.753 7.163 1.00 62.20 C ATOM 962 OE1 GLU A 60 -6.716 -12.969 5.971 1.00 4.34 O ATOM 963 OE2 GLU A 60 -8.202 -12.957 7.631 1.00 11.14 O ATOM 0 H GLU A 60 -6.130 -11.244 10.682 1.00 33.20 H new ATOM 0 HA GLU A 60 -4.600 -13.555 11.097 1.00 25.35 H new ATOM 0 HB2 GLU A 60 -5.320 -14.118 8.840 1.00 3.23 H new ATOM 0 HB3 GLU A 60 -6.660 -13.443 9.744 1.00 3.23 H new ATOM 0 HG2 GLU A 60 -6.319 -11.249 8.529 1.00 22.04 H new ATOM 0 HG3 GLU A 60 -5.062 -12.008 7.573 1.00 22.04 H new ATOM 970 N LEU A 61 -2.954 -11.164 9.803 1.00 50.20 N ATOM 971 CA LEU A 61 -1.633 -10.670 9.458 1.00 1.04 C ATOM 972 C LEU A 61 -0.632 -10.887 10.596 1.00 3.42 C ATOM 973 O LEU A 61 0.573 -10.957 10.369 1.00 1.33 O ATOM 974 CB LEU A 61 -1.578 -9.153 9.159 1.00 61.12 C ATOM 975 CG LEU A 61 -2.460 -8.569 8.039 1.00 70.20 C ATOM 976 CD1 LEU A 61 -1.706 -7.484 7.261 1.00 5.21 C ATOM 977 CD2 LEU A 61 -3.395 -9.490 7.234 1.00 41.30 C ATOM 0 H LEU A 61 -3.600 -10.410 10.037 1.00 50.20 H new ATOM 0 HA LEU A 61 -1.382 -11.237 8.562 1.00 1.04 H new ATOM 0 HB2 LEU A 61 -1.831 -8.629 10.081 1.00 61.12 H new ATOM 0 HB3 LEU A 61 -0.543 -8.904 8.924 1.00 61.12 H new ATOM 0 HG LEU A 61 -3.275 -8.088 8.580 1.00 70.20 H new ATOM 0 HD11 LEU A 61 -2.349 -7.086 6.476 1.00 5.21 H new ATOM 0 HD12 LEU A 61 -1.423 -6.680 7.940 1.00 5.21 H new ATOM 0 HD13 LEU A 61 -0.810 -7.914 6.814 1.00 5.21 H new ATOM 0 HD21 LEU A 61 -3.934 -8.902 6.492 1.00 41.30 H new ATOM 0 HD22 LEU A 61 -2.806 -10.257 6.731 1.00 41.30 H new ATOM 0 HD23 LEU A 61 -4.108 -9.964 7.909 1.00 41.30 H new ATOM 989 N LEU A 62 -1.132 -10.925 11.853 1.00 14.32 N ATOM 990 CA LEU A 62 -0.397 -10.978 13.109 1.00 72.02 C ATOM 991 C LEU A 62 0.334 -12.294 13.290 1.00 42.30 C ATOM 992 O LEU A 62 0.083 -13.296 12.623 1.00 42.14 O ATOM 993 CB LEU A 62 -1.327 -10.785 14.348 1.00 50.40 C ATOM 994 CG LEU A 62 -2.078 -9.436 14.363 1.00 21.15 C ATOM 995 CD1 LEU A 62 -3.190 -9.357 15.427 1.00 75.24 C ATOM 996 CD2 LEU A 62 -1.133 -8.237 14.533 1.00 4.21 C ATOM 0 H LEU A 62 -2.139 -10.918 12.012 1.00 14.32 H new ATOM 0 HA LEU A 62 0.319 -10.158 13.051 1.00 72.02 H new ATOM 0 HB2 LEU A 62 -2.056 -11.595 14.373 1.00 50.40 H new ATOM 0 HB3 LEU A 62 -0.729 -10.867 15.255 1.00 50.40 H new ATOM 0 HG LEU A 62 -2.549 -9.384 13.382 1.00 21.15 H new ATOM 0 HD11 LEU A 62 -3.672 -8.381 15.377 1.00 75.24 H new ATOM 0 HD12 LEU A 62 -3.928 -10.137 15.240 1.00 75.24 H new ATOM 0 HD13 LEU A 62 -2.757 -9.497 16.417 1.00 75.24 H new ATOM 0 HD21 LEU A 62 -1.713 -7.314 14.537 1.00 4.21 H new ATOM 0 HD22 LEU A 62 -0.593 -8.330 15.475 1.00 4.21 H new ATOM 0 HD23 LEU A 62 -0.421 -8.215 13.708 1.00 4.21 H new ATOM 1008 N ASP A 63 1.304 -12.304 14.229 1.00 14.40 N ATOM 1009 CA ASP A 63 2.155 -13.449 14.476 1.00 41.12 C ATOM 1010 C ASP A 63 1.354 -14.655 14.972 1.00 32.54 C ATOM 1011 O ASP A 63 0.722 -14.612 16.024 1.00 13.42 O ATOM 1012 CB ASP A 63 3.232 -13.090 15.537 1.00 34.33 C ATOM 1013 CG ASP A 63 4.279 -12.117 15.006 1.00 34.35 C ATOM 1014 OD1 ASP A 63 5.187 -12.571 14.266 1.00 51.00 O ATOM 1015 OD2 ASP A 63 4.196 -10.911 15.363 1.00 74.32 O ATOM 0 H ASP A 63 1.506 -11.506 14.831 1.00 14.40 H new ATOM 0 HA ASP A 63 2.628 -13.713 13.530 1.00 41.12 H new ATOM 0 HB2 ASP A 63 2.746 -12.654 16.409 1.00 34.33 H new ATOM 0 HB3 ASP A 63 3.726 -14.003 15.871 1.00 34.33 H new ATOM 1020 N GLN A 64 1.431 -15.798 14.247 1.00 53.43 N ATOM 1021 CA GLN A 64 0.659 -17.007 14.502 1.00 32.21 C ATOM 1022 C GLN A 64 0.919 -17.623 15.870 1.00 13.01 C ATOM 1023 O GLN A 64 0.053 -18.260 16.460 1.00 31.14 O ATOM 1024 CB GLN A 64 0.865 -18.032 13.354 1.00 42.01 C ATOM 1025 CG GLN A 64 0.078 -19.358 13.510 1.00 4.24 C ATOM 1026 CD GLN A 64 -1.445 -19.178 13.636 1.00 30.31 C ATOM 1027 OE1 GLN A 64 -2.154 -18.720 12.735 1.00 2.24 O ATOM 1028 NE2 GLN A 64 -1.976 -19.566 14.826 1.00 52.12 N ATOM 0 H GLN A 64 2.056 -15.891 13.447 1.00 53.43 H new ATOM 0 HA GLN A 64 -0.390 -16.711 14.522 1.00 32.21 H new ATOM 0 HB2 GLN A 64 0.576 -17.564 12.413 1.00 42.01 H new ATOM 0 HB3 GLN A 64 1.927 -18.264 13.281 1.00 42.01 H new ATOM 0 HG2 GLN A 64 0.287 -19.995 12.650 1.00 4.24 H new ATOM 0 HG3 GLN A 64 0.444 -19.883 14.392 1.00 4.24 H new ATOM 0 HE21 GLN A 64 -1.371 -19.942 15.556 1.00 52.12 H new ATOM 0 HE22 GLN A 64 -2.979 -19.481 14.989 1.00 52.12 H new ATOM 1037 N ASP A 65 2.106 -17.367 16.452 1.00 64.11 N ATOM 1038 CA ASP A 65 2.482 -17.770 17.797 1.00 1.32 C ATOM 1039 C ASP A 65 1.518 -17.277 18.876 1.00 45.24 C ATOM 1040 O ASP A 65 1.295 -17.981 19.858 1.00 54.45 O ATOM 1041 CB ASP A 65 3.891 -17.237 18.153 1.00 63.23 C ATOM 1042 CG ASP A 65 4.953 -17.955 17.335 1.00 15.21 C ATOM 1043 OD1 ASP A 65 5.167 -19.170 17.575 1.00 13.54 O ATOM 1044 OD2 ASP A 65 5.543 -17.285 16.449 1.00 14.42 O ATOM 0 H ASP A 65 2.847 -16.856 15.972 1.00 64.11 H new ATOM 0 HA ASP A 65 2.458 -18.860 17.785 1.00 1.32 H new ATOM 0 HB2 ASP A 65 3.940 -16.165 17.963 1.00 63.23 H new ATOM 0 HB3 ASP A 65 4.083 -17.381 19.216 1.00 63.23 H new ATOM 1049 N MET A 66 0.917 -16.065 18.740 1.00 2.33 N ATOM 1050 CA MET A 66 -0.042 -15.601 19.733 1.00 51.32 C ATOM 1051 C MET A 66 -1.415 -16.234 19.533 1.00 54.35 C ATOM 1052 O MET A 66 -2.245 -16.196 20.440 1.00 11.51 O ATOM 1053 CB MET A 66 -0.188 -14.050 19.781 1.00 12.04 C ATOM 1054 CG MET A 66 -0.955 -13.352 18.639 1.00 3.44 C ATOM 1055 SD MET A 66 -1.180 -11.558 18.859 1.00 21.22 S ATOM 1056 CE MET A 66 0.464 -11.035 18.301 1.00 73.15 C ATOM 0 H MET A 66 1.085 -15.419 17.968 1.00 2.33 H new ATOM 0 HA MET A 66 0.369 -15.921 20.691 1.00 51.32 H new ATOM 0 HB2 MET A 66 -0.680 -13.791 20.719 1.00 12.04 H new ATOM 0 HB3 MET A 66 0.814 -13.623 19.818 1.00 12.04 H new ATOM 0 HG2 MET A 66 -0.424 -13.526 17.703 1.00 3.44 H new ATOM 0 HG3 MET A 66 -1.935 -13.818 18.540 1.00 3.44 H new ATOM 0 HE1 MET A 66 0.539 -9.949 18.357 1.00 73.15 H new ATOM 0 HE2 MET A 66 1.225 -11.485 18.939 1.00 73.15 H new ATOM 0 HE3 MET A 66 0.618 -11.356 17.271 1.00 73.15 H new ATOM 1066 N ASN A 67 -1.656 -16.843 18.342 1.00 31.10 N ATOM 1067 CA ASN A 67 -2.892 -17.457 17.876 1.00 30.14 C ATOM 1068 C ASN A 67 -4.102 -16.541 17.761 1.00 30.53 C ATOM 1069 O ASN A 67 -5.235 -16.982 17.948 1.00 33.03 O ATOM 1070 CB ASN A 67 -3.252 -18.715 18.734 1.00 63.54 C ATOM 1071 CG ASN A 67 -2.236 -19.833 18.505 1.00 70.43 C ATOM 1072 OD1 ASN A 67 -2.355 -20.591 17.539 1.00 25.34 O ATOM 1073 ND2 ASN A 67 -1.203 -19.938 19.375 1.00 25.24 N ATOM 0 H ASN A 67 -0.921 -16.914 17.639 1.00 31.10 H new ATOM 0 HA ASN A 67 -2.663 -17.741 16.849 1.00 30.14 H new ATOM 0 HB2 ASN A 67 -3.273 -18.447 19.790 1.00 63.54 H new ATOM 0 HB3 ASN A 67 -4.251 -19.065 18.474 1.00 63.54 H new ATOM 0 HD21 ASN A 67 -0.495 -20.660 19.241 1.00 25.24 H new ATOM 0 HD22 ASN A 67 -1.133 -19.295 20.164 1.00 25.24 H new ATOM 1080 N LEU A 68 -3.925 -15.245 17.392 1.00 42.23 N ATOM 1081 CA LEU A 68 -5.063 -14.362 17.205 1.00 64.13 C ATOM 1082 C LEU A 68 -5.694 -14.574 15.846 1.00 4.23 C ATOM 1083 O LEU A 68 -5.046 -14.391 14.818 1.00 62.12 O ATOM 1084 CB LEU A 68 -4.679 -12.862 17.315 1.00 72.13 C ATOM 1085 CG LEU A 68 -5.806 -11.896 17.766 1.00 44.40 C ATOM 1086 CD1 LEU A 68 -5.527 -10.427 17.497 1.00 22.54 C ATOM 1087 CD2 LEU A 68 -7.272 -12.360 17.716 1.00 73.12 C ATOM 0 H LEU A 68 -3.016 -14.813 17.225 1.00 42.23 H new ATOM 0 HA LEU A 68 -5.764 -14.611 18.002 1.00 64.13 H new ATOM 0 HB2 LEU A 68 -3.850 -12.772 18.017 1.00 72.13 H new ATOM 0 HB3 LEU A 68 -4.312 -12.530 16.344 1.00 72.13 H new ATOM 0 HG LEU A 68 -5.713 -11.988 18.848 1.00 44.40 H new ATOM 0 HD11 LEU A 68 -6.368 -9.827 17.845 1.00 22.54 H new ATOM 0 HD12 LEU A 68 -4.623 -10.125 18.026 1.00 22.54 H new ATOM 0 HD13 LEU A 68 -5.389 -10.273 16.427 1.00 22.54 H new ATOM 0 HD21 LEU A 68 -7.920 -11.557 18.067 1.00 73.12 H new ATOM 0 HD22 LEU A 68 -7.537 -12.618 16.691 1.00 73.12 H new ATOM 0 HD23 LEU A 68 -7.399 -13.234 18.355 1.00 73.12 H new ATOM 1099 N HIS A 69 -6.998 -14.915 15.808 1.00 72.42 N ATOM 1100 CA HIS A 69 -7.747 -14.827 14.578 1.00 22.35 C ATOM 1101 C HIS A 69 -9.116 -14.307 14.899 1.00 2.34 C ATOM 1102 O HIS A 69 -9.639 -14.485 16.000 1.00 0.01 O ATOM 1103 CB HIS A 69 -7.842 -16.177 13.808 1.00 61.50 C ATOM 1104 CG HIS A 69 -6.528 -16.643 13.224 1.00 13.05 C ATOM 1105 ND1 HIS A 69 -6.098 -16.171 12.014 1.00 54.15 N ATOM 1106 CD2 HIS A 69 -5.562 -17.476 13.683 1.00 63.12 C ATOM 1107 CE1 HIS A 69 -4.916 -16.697 11.744 1.00 0.44 C ATOM 1108 NE2 HIS A 69 -4.566 -17.492 12.738 1.00 70.30 N ATOM 0 H HIS A 69 -7.531 -15.247 16.612 1.00 72.42 H new ATOM 0 HA HIS A 69 -7.216 -14.149 13.910 1.00 22.35 H new ATOM 0 HB2 HIS A 69 -8.220 -16.944 14.484 1.00 61.50 H new ATOM 0 HB3 HIS A 69 -8.570 -16.075 13.003 1.00 61.50 H new ATOM 0 HD2 HIS A 69 -5.574 -18.023 14.614 1.00 63.12 H new ATOM 0 HE1 HIS A 69 -4.332 -16.507 10.856 1.00 0.44 H new ATOM 0 HE2 HIS A 69 -3.700 -18.029 12.795 1.00 70.30 H new ATOM 1117 N HIS A 70 -9.716 -13.596 13.926 1.00 32.43 N ATOM 1118 CA HIS A 70 -10.999 -12.959 14.082 1.00 72.50 C ATOM 1119 C HIS A 70 -12.145 -13.942 14.253 1.00 54.11 C ATOM 1120 O HIS A 70 -12.320 -14.891 13.487 1.00 74.43 O ATOM 1121 CB HIS A 70 -11.235 -11.984 12.897 1.00 0.13 C ATOM 1122 CG HIS A 70 -10.927 -12.579 11.547 1.00 3.10 C ATOM 1123 ND1 HIS A 70 -11.411 -13.787 11.131 1.00 43.15 N ATOM 1124 CD2 HIS A 70 -10.070 -12.150 10.594 1.00 5.03 C ATOM 1125 CE1 HIS A 70 -10.869 -14.084 9.963 1.00 53.52 C ATOM 1126 NE2 HIS A 70 -10.049 -13.107 9.617 1.00 52.04 N ATOM 0 H HIS A 70 -9.302 -13.457 13.004 1.00 32.43 H new ATOM 0 HA HIS A 70 -10.980 -12.393 15.013 1.00 72.50 H new ATOM 0 HB2 HIS A 70 -12.274 -11.656 12.910 1.00 0.13 H new ATOM 0 HB3 HIS A 70 -10.619 -11.096 13.041 1.00 0.13 H new ATOM 0 HD2 HIS A 70 -9.509 -11.227 10.602 1.00 5.03 H new ATOM 0 HE1 HIS A 70 -11.064 -14.977 9.387 1.00 53.52 H new ATOM 0 HE2 HIS A 70 -9.493 -13.072 8.763 1.00 52.04 H new ATOM 1135 N GLY A 71 -12.952 -13.697 15.307 1.00 72.41 N ATOM 1136 CA GLY A 71 -14.055 -14.550 15.738 1.00 74.23 C ATOM 1137 C GLY A 71 -13.707 -15.583 16.789 1.00 32.43 C ATOM 1138 O GLY A 71 -14.601 -16.197 17.364 1.00 4.12 O ATOM 0 H GLY A 71 -12.841 -12.870 15.894 1.00 72.41 H new ATOM 0 HA2 GLY A 71 -14.852 -13.916 16.127 1.00 74.23 H new ATOM 0 HA3 GLY A 71 -14.455 -15.066 14.865 1.00 74.23 H new ATOM 1142 N LYS A 72 -12.407 -15.807 17.089 1.00 21.41 N ATOM 1143 CA LYS A 72 -11.929 -16.912 17.911 1.00 53.02 C ATOM 1144 C LYS A 72 -11.516 -16.446 19.295 1.00 65.34 C ATOM 1145 O LYS A 72 -10.721 -17.099 19.975 1.00 51.11 O ATOM 1146 CB LYS A 72 -10.734 -17.683 17.268 1.00 10.45 C ATOM 1147 CG LYS A 72 -11.068 -18.598 16.069 1.00 34.13 C ATOM 1148 CD LYS A 72 -11.479 -17.895 14.766 1.00 12.43 C ATOM 1149 CE LYS A 72 -11.569 -18.827 13.554 1.00 62.53 C ATOM 1150 NZ LYS A 72 -12.575 -19.883 13.785 1.00 12.15 N ATOM 0 H LYS A 72 -11.656 -15.205 16.753 1.00 21.41 H new ATOM 0 HA LYS A 72 -12.776 -17.594 17.987 1.00 53.02 H new ATOM 0 HB2 LYS A 72 -9.992 -16.953 16.944 1.00 10.45 H new ATOM 0 HB3 LYS A 72 -10.265 -18.292 18.041 1.00 10.45 H new ATOM 0 HG2 LYS A 72 -10.198 -19.220 15.861 1.00 34.13 H new ATOM 0 HG3 LYS A 72 -11.875 -19.268 16.365 1.00 34.13 H new ATOM 0 HD2 LYS A 72 -12.446 -17.415 14.914 1.00 12.43 H new ATOM 0 HD3 LYS A 72 -10.761 -17.104 14.550 1.00 12.43 H new ATOM 0 HE2 LYS A 72 -11.833 -18.253 12.666 1.00 62.53 H new ATOM 0 HE3 LYS A 72 -10.596 -19.279 13.363 1.00 62.53 H new ATOM 0 HZ1 LYS A 72 -12.683 -20.454 12.922 1.00 12.15 H new ATOM 0 HZ2 LYS A 72 -12.264 -20.493 14.567 1.00 12.15 H new ATOM 0 HZ3 LYS A 72 -13.487 -19.446 14.028 1.00 12.15 H new ATOM 1164 N ALA A 73 -12.068 -15.307 19.774 1.00 45.21 N ATOM 1165 CA ALA A 73 -11.648 -14.646 20.995 1.00 35.01 C ATOM 1166 C ALA A 73 -11.728 -15.505 22.218 1.00 13.24 C ATOM 1167 O ALA A 73 -10.792 -15.498 23.001 1.00 50.43 O ATOM 1168 CB ALA A 73 -12.511 -13.423 21.307 1.00 50.31 C ATOM 0 H ALA A 73 -12.832 -14.826 19.300 1.00 45.21 H new ATOM 0 HA ALA A 73 -10.610 -14.383 20.790 1.00 35.01 H new ATOM 0 HB1 ALA A 73 -12.163 -12.958 22.229 1.00 50.31 H new ATOM 0 HB2 ALA A 73 -12.437 -12.707 20.489 1.00 50.31 H new ATOM 0 HB3 ALA A 73 -13.550 -13.731 21.426 1.00 50.31 H new ATOM 1174 N MET A 74 -12.804 -16.291 22.405 1.00 65.12 N ATOM 1175 CA MET A 74 -12.950 -17.102 23.604 1.00 65.45 C ATOM 1176 C MET A 74 -11.822 -18.121 23.758 1.00 23.41 C ATOM 1177 O MET A 74 -11.302 -18.326 24.852 1.00 71.12 O ATOM 1178 CB MET A 74 -14.308 -17.848 23.632 1.00 41.45 C ATOM 1179 CG MET A 74 -15.514 -16.899 23.788 1.00 4.12 C ATOM 1180 SD MET A 74 -17.132 -17.728 23.900 1.00 0.22 S ATOM 1181 CE MET A 74 -17.225 -18.313 22.183 1.00 44.01 C ATOM 0 H MET A 74 -13.574 -16.374 21.741 1.00 65.12 H new ATOM 0 HA MET A 74 -12.905 -16.403 24.439 1.00 65.45 H new ATOM 0 HB2 MET A 74 -14.420 -18.421 22.712 1.00 41.45 H new ATOM 0 HB3 MET A 74 -14.307 -18.563 24.455 1.00 41.45 H new ATOM 0 HG2 MET A 74 -15.369 -16.295 24.683 1.00 4.12 H new ATOM 0 HG3 MET A 74 -15.531 -16.214 22.940 1.00 4.12 H new ATOM 0 HE1 MET A 74 -18.239 -18.650 21.968 1.00 44.01 H new ATOM 0 HE2 MET A 74 -16.961 -17.500 21.507 1.00 44.01 H new ATOM 0 HE3 MET A 74 -16.530 -19.141 22.043 1.00 44.01 H new ATOM 1191 N GLU A 75 -11.401 -18.759 22.643 1.00 4.01 N ATOM 1192 CA GLU A 75 -10.289 -19.701 22.634 1.00 72.42 C ATOM 1193 C GLU A 75 -8.928 -19.028 22.763 1.00 33.22 C ATOM 1194 O GLU A 75 -8.077 -19.445 23.545 1.00 41.24 O ATOM 1195 CB GLU A 75 -10.294 -20.565 21.347 1.00 10.41 C ATOM 1196 CG GLU A 75 -11.498 -21.540 21.275 1.00 53.54 C ATOM 1197 CD GLU A 75 -11.505 -22.420 20.021 1.00 11.21 C ATOM 1198 OE1 GLU A 75 -12.448 -23.248 19.917 1.00 51.43 O ATOM 1199 OE2 GLU A 75 -10.592 -22.276 19.169 1.00 42.22 O ATOM 0 H GLU A 75 -11.832 -18.626 21.728 1.00 4.01 H new ATOM 0 HA GLU A 75 -10.440 -20.330 23.511 1.00 72.42 H new ATOM 0 HB2 GLU A 75 -10.312 -19.910 20.476 1.00 10.41 H new ATOM 0 HB3 GLU A 75 -9.367 -21.137 21.296 1.00 10.41 H new ATOM 0 HG2 GLU A 75 -11.489 -22.180 22.157 1.00 53.54 H new ATOM 0 HG3 GLU A 75 -12.423 -20.964 21.309 1.00 53.54 H new ATOM 1206 N PHE A 76 -8.730 -17.929 22.008 1.00 51.11 N ATOM 1207 CA PHE A 76 -7.563 -17.067 22.007 1.00 61.23 C ATOM 1208 C PHE A 76 -7.298 -16.425 23.353 1.00 32.13 C ATOM 1209 O PHE A 76 -6.179 -16.443 23.854 1.00 62.50 O ATOM 1210 CB PHE A 76 -7.756 -16.001 20.890 1.00 15.40 C ATOM 1211 CG PHE A 76 -6.751 -14.885 20.928 1.00 43.02 C ATOM 1212 CD1 PHE A 76 -5.407 -15.064 20.577 1.00 54.25 C ATOM 1213 CD2 PHE A 76 -7.167 -13.636 21.412 1.00 0.33 C ATOM 1214 CE1 PHE A 76 -4.515 -13.984 20.626 1.00 4.12 C ATOM 1215 CE2 PHE A 76 -6.256 -12.592 21.541 1.00 42.33 C ATOM 1216 CZ PHE A 76 -4.935 -12.747 21.117 1.00 23.22 C ATOM 0 H PHE A 76 -9.436 -17.611 21.344 1.00 51.11 H new ATOM 0 HA PHE A 76 -6.679 -17.671 21.806 1.00 61.23 H new ATOM 0 HB2 PHE A 76 -7.700 -16.493 19.919 1.00 15.40 H new ATOM 0 HB3 PHE A 76 -8.757 -15.578 20.975 1.00 15.40 H new ATOM 0 HD1 PHE A 76 -5.057 -16.038 20.268 1.00 54.25 H new ATOM 0 HD2 PHE A 76 -8.200 -13.484 21.686 1.00 0.33 H new ATOM 0 HE1 PHE A 76 -3.499 -14.110 20.282 1.00 4.12 H new ATOM 0 HE2 PHE A 76 -6.574 -11.654 21.973 1.00 42.33 H new ATOM 0 HZ PHE A 76 -4.245 -11.918 21.168 1.00 23.22 H new ATOM 1226 N ALA A 77 -8.332 -15.862 23.995 1.00 24.44 N ATOM 1227 CA ALA A 77 -8.210 -15.186 25.257 1.00 22.44 C ATOM 1228 C ALA A 77 -7.682 -16.068 26.374 1.00 71.41 C ATOM 1229 O ALA A 77 -6.824 -15.655 27.155 1.00 63.35 O ATOM 1230 CB ALA A 77 -9.593 -14.645 25.586 1.00 23.41 C ATOM 0 H ALA A 77 -9.285 -15.874 23.630 1.00 24.44 H new ATOM 0 HA ALA A 77 -7.470 -14.390 25.173 1.00 22.44 H new ATOM 0 HB1 ALA A 77 -9.560 -14.119 26.540 1.00 23.41 H new ATOM 0 HB2 ALA A 77 -9.910 -13.957 24.803 1.00 23.41 H new ATOM 0 HB3 ALA A 77 -10.301 -15.471 25.652 1.00 23.41 H new ATOM 1236 N MET A 78 -8.154 -17.335 26.429 1.00 13.20 N ATOM 1237 CA MET A 78 -7.658 -18.341 27.349 1.00 33.00 C ATOM 1238 C MET A 78 -6.197 -18.713 27.131 1.00 34.30 C ATOM 1239 O MET A 78 -5.460 -18.924 28.093 1.00 23.34 O ATOM 1240 CB MET A 78 -8.566 -19.595 27.361 1.00 63.24 C ATOM 1241 CG MET A 78 -9.935 -19.317 28.029 1.00 31.15 C ATOM 1242 SD MET A 78 -10.985 -20.792 28.265 1.00 42.51 S ATOM 1243 CE MET A 78 -11.218 -21.311 26.541 1.00 41.30 C ATOM 0 H MET A 78 -8.899 -17.675 25.821 1.00 13.20 H new ATOM 0 HA MET A 78 -7.697 -17.879 28.335 1.00 33.00 H new ATOM 0 HB2 MET A 78 -8.725 -19.937 26.338 1.00 63.24 H new ATOM 0 HB3 MET A 78 -8.061 -20.402 27.892 1.00 63.24 H new ATOM 0 HG2 MET A 78 -9.762 -18.852 29.000 1.00 31.15 H new ATOM 0 HG3 MET A 78 -10.480 -18.594 27.422 1.00 31.15 H new ATOM 0 HE1 MET A 78 -11.884 -22.173 26.507 1.00 41.30 H new ATOM 0 HE2 MET A 78 -11.655 -20.492 25.970 1.00 41.30 H new ATOM 0 HE3 MET A 78 -10.254 -21.580 26.109 1.00 41.30 H new ATOM 1253 N LYS A 79 -5.711 -18.739 25.865 1.00 43.12 N ATOM 1254 CA LYS A 79 -4.295 -18.931 25.542 1.00 35.45 C ATOM 1255 C LYS A 79 -3.406 -17.820 26.120 1.00 63.55 C ATOM 1256 O LYS A 79 -2.235 -18.040 26.419 1.00 40.31 O ATOM 1257 CB LYS A 79 -4.065 -18.997 24.005 1.00 0.52 C ATOM 1258 CG LYS A 79 -4.656 -20.240 23.311 1.00 72.32 C ATOM 1259 CD LYS A 79 -3.863 -21.532 23.571 1.00 1.05 C ATOM 1260 CE LYS A 79 -4.486 -22.754 22.893 1.00 4.11 C ATOM 1261 NZ LYS A 79 -3.664 -23.952 23.155 1.00 21.14 N ATOM 0 H LYS A 79 -6.303 -18.626 25.042 1.00 43.12 H new ATOM 0 HA LYS A 79 -4.015 -19.880 25.999 1.00 35.45 H new ATOM 0 HB2 LYS A 79 -4.496 -18.106 23.550 1.00 0.52 H new ATOM 0 HB3 LYS A 79 -2.993 -18.967 23.812 1.00 0.52 H new ATOM 0 HG2 LYS A 79 -5.682 -20.380 23.650 1.00 72.32 H new ATOM 0 HG3 LYS A 79 -4.697 -20.060 22.237 1.00 72.32 H new ATOM 0 HD2 LYS A 79 -2.841 -21.405 23.213 1.00 1.05 H new ATOM 0 HD3 LYS A 79 -3.805 -21.708 24.645 1.00 1.05 H new ATOM 0 HE2 LYS A 79 -5.499 -22.909 23.265 1.00 4.11 H new ATOM 0 HE3 LYS A 79 -4.564 -22.584 21.819 1.00 4.11 H new ATOM 0 HZ1 LYS A 79 -4.095 -24.777 22.691 1.00 21.14 H new ATOM 0 HZ2 LYS A 79 -2.706 -23.804 22.779 1.00 21.14 H new ATOM 0 HZ3 LYS A 79 -3.612 -24.120 24.180 1.00 21.14 H new ATOM 1275 N HIS A 80 -3.966 -16.605 26.315 1.00 1.11 N ATOM 1276 CA HIS A 80 -3.304 -15.443 26.882 1.00 13.33 C ATOM 1277 C HIS A 80 -3.529 -15.243 28.364 1.00 2.40 C ATOM 1278 O HIS A 80 -3.201 -14.191 28.911 1.00 13.23 O ATOM 1279 CB HIS A 80 -3.701 -14.183 26.100 1.00 1.31 C ATOM 1280 CG HIS A 80 -3.061 -14.211 24.740 1.00 53.34 C ATOM 1281 ND1 HIS A 80 -1.741 -13.886 24.578 1.00 0.42 N ATOM 1282 CD2 HIS A 80 -3.454 -14.821 23.602 1.00 32.44 C ATOM 1283 CE1 HIS A 80 -1.346 -14.288 23.384 1.00 61.15 C ATOM 1284 NE2 HIS A 80 -2.364 -14.868 22.777 1.00 3.55 N ATOM 0 H HIS A 80 -4.936 -16.415 26.065 1.00 1.11 H new ATOM 0 HA HIS A 80 -2.235 -15.633 26.783 1.00 13.33 H new ATOM 0 HB2 HIS A 80 -4.785 -14.130 26.002 1.00 1.31 H new ATOM 0 HB3 HIS A 80 -3.386 -13.292 26.643 1.00 1.31 H new ATOM 0 HD2 HIS A 80 -4.442 -15.200 23.384 1.00 32.44 H new ATOM 0 HE1 HIS A 80 -0.355 -14.163 22.973 1.00 61.15 H new ATOM 0 HE2 HIS A 80 -2.342 -15.283 21.846 1.00 3.55 H new ATOM 1293 N GLY A 81 -4.048 -16.265 29.077 1.00 41.14 N ATOM 1294 CA GLY A 81 -4.045 -16.263 30.534 1.00 34.30 C ATOM 1295 C GLY A 81 -5.310 -15.751 31.144 1.00 62.34 C ATOM 1296 O GLY A 81 -5.446 -15.737 32.364 1.00 1.02 O ATOM 0 H GLY A 81 -4.470 -17.094 28.658 1.00 41.14 H new ATOM 0 HA2 GLY A 81 -3.868 -17.279 30.888 1.00 34.30 H new ATOM 0 HA3 GLY A 81 -3.212 -15.654 30.885 1.00 34.30 H new ATOM 1300 N ALA A 82 -6.301 -15.350 30.320 1.00 71.32 N ATOM 1301 CA ALA A 82 -7.655 -15.181 30.813 1.00 74.24 C ATOM 1302 C ALA A 82 -8.265 -16.525 31.234 1.00 22.13 C ATOM 1303 O ALA A 82 -8.076 -17.548 30.583 1.00 34.44 O ATOM 1304 CB ALA A 82 -8.553 -14.537 29.739 1.00 40.33 C ATOM 0 H ALA A 82 -6.178 -15.144 29.329 1.00 71.32 H new ATOM 0 HA ALA A 82 -7.601 -14.526 31.683 1.00 74.24 H new ATOM 0 HB1 ALA A 82 -9.563 -14.420 30.132 1.00 40.33 H new ATOM 0 HB2 ALA A 82 -8.153 -13.559 29.469 1.00 40.33 H new ATOM 0 HB3 ALA A 82 -8.578 -15.175 28.856 1.00 40.33 H new ATOM 1310 N ASP A 83 -9.040 -16.572 32.342 1.00 22.42 N ATOM 1311 CA ASP A 83 -9.832 -17.750 32.655 1.00 42.20 C ATOM 1312 C ASP A 83 -11.119 -17.680 31.843 1.00 44.14 C ATOM 1313 O ASP A 83 -11.413 -16.668 31.210 1.00 74.12 O ATOM 1314 CB ASP A 83 -10.170 -17.861 34.164 1.00 35.05 C ATOM 1315 CG ASP A 83 -8.900 -18.014 34.996 1.00 30.10 C ATOM 1316 OD1 ASP A 83 -8.702 -17.176 35.913 1.00 10.15 O ATOM 1317 OD2 ASP A 83 -8.154 -18.997 34.752 1.00 51.50 O ATOM 0 H ASP A 83 -9.123 -15.811 33.016 1.00 22.42 H new ATOM 0 HA ASP A 83 -9.248 -18.635 32.401 1.00 42.20 H new ATOM 0 HB2 ASP A 83 -10.715 -16.973 34.485 1.00 35.05 H new ATOM 0 HB3 ASP A 83 -10.825 -18.716 34.332 1.00 35.05 H new ATOM 1322 N GLU A 84 -11.941 -18.754 31.841 1.00 1.32 N ATOM 1323 CA GLU A 84 -13.119 -18.838 30.982 1.00 53.44 C ATOM 1324 C GLU A 84 -14.162 -17.781 31.316 1.00 42.42 C ATOM 1325 O GLU A 84 -14.821 -17.224 30.441 1.00 65.20 O ATOM 1326 CB GLU A 84 -13.746 -20.264 31.007 1.00 12.21 C ATOM 1327 CG GLU A 84 -14.327 -20.725 32.365 1.00 43.14 C ATOM 1328 CD GLU A 84 -14.846 -22.165 32.320 1.00 13.41 C ATOM 1329 OE1 GLU A 84 -16.075 -22.353 32.509 1.00 35.22 O ATOM 1330 OE2 GLU A 84 -14.008 -23.081 32.117 1.00 64.23 O ATOM 0 H GLU A 84 -11.799 -19.573 32.432 1.00 1.32 H new ATOM 0 HA GLU A 84 -12.773 -18.637 29.968 1.00 53.44 H new ATOM 0 HB2 GLU A 84 -14.541 -20.303 30.262 1.00 12.21 H new ATOM 0 HB3 GLU A 84 -12.984 -20.980 30.698 1.00 12.21 H new ATOM 0 HG2 GLU A 84 -13.558 -20.643 33.133 1.00 43.14 H new ATOM 0 HG3 GLU A 84 -15.139 -20.058 32.655 1.00 43.14 H new ATOM 1337 N ALA A 85 -14.263 -17.453 32.620 1.00 50.23 N ATOM 1338 CA ALA A 85 -15.062 -16.390 33.183 1.00 53.53 C ATOM 1339 C ALA A 85 -14.576 -15.008 32.776 1.00 72.13 C ATOM 1340 O ALA A 85 -15.349 -14.127 32.412 1.00 32.34 O ATOM 1341 CB ALA A 85 -15.048 -16.522 34.716 1.00 71.31 C ATOM 0 H ALA A 85 -13.750 -17.966 33.337 1.00 50.23 H new ATOM 0 HA ALA A 85 -16.075 -16.490 32.794 1.00 53.53 H new ATOM 0 HB1 ALA A 85 -15.648 -15.725 35.155 1.00 71.31 H new ATOM 0 HB2 ALA A 85 -15.463 -17.488 35.002 1.00 71.31 H new ATOM 0 HB3 ALA A 85 -14.023 -16.446 35.078 1.00 71.31 H new ATOM 1347 N MET A 86 -13.244 -14.794 32.817 1.00 22.41 N ATOM 1348 CA MET A 86 -12.600 -13.556 32.429 1.00 35.34 C ATOM 1349 C MET A 86 -12.713 -13.300 30.944 1.00 54.44 C ATOM 1350 O MET A 86 -12.915 -12.170 30.506 1.00 72.23 O ATOM 1351 CB MET A 86 -11.112 -13.528 32.816 1.00 32.34 C ATOM 1352 CG MET A 86 -10.866 -13.573 34.334 1.00 51.14 C ATOM 1353 SD MET A 86 -9.112 -13.735 34.776 1.00 42.01 S ATOM 1354 CE MET A 86 -9.403 -13.601 36.563 1.00 41.03 C ATOM 0 H MET A 86 -12.584 -15.506 33.131 1.00 22.41 H new ATOM 0 HA MET A 86 -13.127 -12.772 32.973 1.00 35.34 H new ATOM 0 HB2 MET A 86 -10.609 -14.375 32.350 1.00 32.34 H new ATOM 0 HB3 MET A 86 -10.657 -12.624 32.410 1.00 32.34 H new ATOM 0 HG2 MET A 86 -11.265 -12.665 34.786 1.00 51.14 H new ATOM 0 HG3 MET A 86 -11.419 -14.410 34.760 1.00 51.14 H new ATOM 0 HE1 MET A 86 -8.448 -13.601 37.088 1.00 41.03 H new ATOM 0 HE2 MET A 86 -9.935 -12.674 36.776 1.00 41.03 H new ATOM 0 HE3 MET A 86 -10.001 -14.448 36.899 1.00 41.03 H new ATOM 1364 N ALA A 87 -12.586 -14.371 30.133 1.00 62.32 N ATOM 1365 CA ALA A 87 -12.739 -14.308 28.699 1.00 20.11 C ATOM 1366 C ALA A 87 -14.125 -13.827 28.275 1.00 34.10 C ATOM 1367 O ALA A 87 -14.273 -12.887 27.495 1.00 32.21 O ATOM 1368 CB ALA A 87 -12.466 -15.708 28.108 1.00 52.15 C ATOM 0 H ALA A 87 -12.372 -15.306 30.478 1.00 62.32 H new ATOM 0 HA ALA A 87 -12.023 -13.580 28.317 1.00 20.11 H new ATOM 0 HB1 ALA A 87 -12.578 -15.674 27.024 1.00 52.15 H new ATOM 0 HB2 ALA A 87 -11.451 -16.017 28.358 1.00 52.15 H new ATOM 0 HB3 ALA A 87 -13.176 -16.423 28.524 1.00 52.15 H new ATOM 1374 N LYS A 88 -15.191 -14.410 28.869 1.00 35.34 N ATOM 1375 CA LYS A 88 -16.559 -13.986 28.630 1.00 21.21 C ATOM 1376 C LYS A 88 -16.846 -12.622 29.224 1.00 14.52 C ATOM 1377 O LYS A 88 -17.639 -11.863 28.676 1.00 75.40 O ATOM 1378 CB LYS A 88 -17.623 -15.020 29.102 1.00 31.22 C ATOM 1379 CG LYS A 88 -17.712 -15.293 30.611 1.00 4.34 C ATOM 1380 CD LYS A 88 -18.829 -16.288 30.968 1.00 35.20 C ATOM 1381 CE LYS A 88 -18.937 -16.587 32.463 1.00 73.50 C ATOM 1382 NZ LYS A 88 -20.147 -17.390 32.727 1.00 74.33 N ATOM 0 H LYS A 88 -15.110 -15.187 29.525 1.00 35.34 H new ATOM 0 HA LYS A 88 -16.646 -13.916 27.546 1.00 21.21 H new ATOM 0 HB2 LYS A 88 -18.601 -14.679 28.762 1.00 31.22 H new ATOM 0 HB3 LYS A 88 -17.422 -15.966 28.598 1.00 31.22 H new ATOM 0 HG2 LYS A 88 -16.757 -15.683 30.963 1.00 4.34 H new ATOM 0 HG3 LYS A 88 -17.886 -14.354 31.137 1.00 4.34 H new ATOM 0 HD2 LYS A 88 -19.782 -15.891 30.617 1.00 35.20 H new ATOM 0 HD3 LYS A 88 -18.656 -17.221 30.432 1.00 35.20 H new ATOM 0 HE2 LYS A 88 -18.051 -17.126 32.800 1.00 73.50 H new ATOM 0 HE3 LYS A 88 -18.978 -15.655 33.027 1.00 73.50 H new ATOM 0 HZ1 LYS A 88 -20.215 -17.590 33.745 1.00 74.33 H new ATOM 0 HZ2 LYS A 88 -20.988 -16.861 32.421 1.00 74.33 H new ATOM 0 HZ3 LYS A 88 -20.091 -18.285 32.201 1.00 74.33 H new ATOM 1396 N GLN A 89 -16.163 -12.240 30.327 1.00 40.44 N ATOM 1397 CA GLN A 89 -16.201 -10.901 30.871 1.00 43.43 C ATOM 1398 C GLN A 89 -15.697 -9.812 29.952 1.00 74.43 C ATOM 1399 O GLN A 89 -16.360 -8.784 29.846 1.00 64.41 O ATOM 1400 CB GLN A 89 -15.467 -10.819 32.230 1.00 41.12 C ATOM 1401 CG GLN A 89 -15.425 -9.396 32.822 1.00 63.41 C ATOM 1402 CD GLN A 89 -15.100 -9.375 34.313 1.00 35.34 C ATOM 1403 OE1 GLN A 89 -15.861 -8.851 35.129 1.00 24.54 O ATOM 1404 NE2 GLN A 89 -13.937 -9.958 34.688 1.00 20.22 N ATOM 0 H GLN A 89 -15.568 -12.876 30.857 1.00 40.44 H new ATOM 0 HA GLN A 89 -17.265 -10.706 31.006 1.00 43.43 H new ATOM 0 HB2 GLN A 89 -15.958 -11.485 32.940 1.00 41.12 H new ATOM 0 HB3 GLN A 89 -14.447 -11.182 32.105 1.00 41.12 H new ATOM 0 HG2 GLN A 89 -14.680 -8.808 32.286 1.00 63.41 H new ATOM 0 HG3 GLN A 89 -16.389 -8.913 32.660 1.00 63.41 H new ATOM 0 HE21 GLN A 89 -13.330 -10.383 33.987 1.00 20.22 H new ATOM 0 HE22 GLN A 89 -13.668 -9.973 35.672 1.00 20.22 H new ATOM 1413 N LEU A 90 -14.569 -9.969 29.217 1.00 53.20 N ATOM 1414 CA LEU A 90 -14.137 -8.968 28.284 1.00 64.35 C ATOM 1415 C LEU A 90 -15.127 -8.775 27.143 1.00 14.33 C ATOM 1416 O LEU A 90 -15.462 -7.653 26.762 1.00 12.33 O ATOM 1417 CB LEU A 90 -12.742 -9.344 27.758 1.00 44.11 C ATOM 1418 CG LEU A 90 -11.551 -9.291 28.752 1.00 42.33 C ATOM 1419 CD1 LEU A 90 -10.234 -9.647 28.031 1.00 1.04 C ATOM 1420 CD2 LEU A 90 -11.376 -7.971 29.525 1.00 43.45 C ATOM 0 H LEU A 90 -13.962 -10.787 29.271 1.00 53.20 H new ATOM 0 HA LEU A 90 -14.086 -8.010 28.802 1.00 64.35 H new ATOM 0 HB2 LEU A 90 -12.798 -10.356 27.357 1.00 44.11 H new ATOM 0 HB3 LEU A 90 -12.510 -8.683 26.923 1.00 44.11 H new ATOM 0 HG LEU A 90 -11.801 -10.033 29.510 1.00 42.33 H new ATOM 0 HD11 LEU A 90 -9.408 -9.606 28.741 1.00 1.04 H new ATOM 0 HD12 LEU A 90 -10.306 -10.653 27.617 1.00 1.04 H new ATOM 0 HD13 LEU A 90 -10.056 -8.935 27.225 1.00 1.04 H new ATOM 0 HD21 LEU A 90 -10.515 -8.049 30.188 1.00 43.45 H new ATOM 0 HD22 LEU A 90 -11.218 -7.155 28.820 1.00 43.45 H new ATOM 0 HD23 LEU A 90 -12.271 -7.773 30.115 1.00 43.45 H new ATOM 1432 N LEU A 91 -15.684 -9.881 26.615 1.00 61.22 N ATOM 1433 CA LEU A 91 -16.758 -9.843 25.641 1.00 44.30 C ATOM 1434 C LEU A 91 -18.037 -9.205 26.220 1.00 11.52 C ATOM 1435 O LEU A 91 -18.693 -8.402 25.558 1.00 53.14 O ATOM 1436 CB LEU A 91 -16.984 -11.284 25.106 1.00 34.34 C ATOM 1437 CG LEU A 91 -15.808 -11.822 24.246 1.00 53.15 C ATOM 1438 CD1 LEU A 91 -15.638 -13.340 24.362 1.00 42.22 C ATOM 1439 CD2 LEU A 91 -15.993 -11.484 22.766 1.00 13.42 C ATOM 0 H LEU A 91 -15.390 -10.826 26.863 1.00 61.22 H new ATOM 0 HA LEU A 91 -16.479 -9.201 24.805 1.00 44.30 H new ATOM 0 HB2 LEU A 91 -17.142 -11.955 25.950 1.00 34.34 H new ATOM 0 HB3 LEU A 91 -17.896 -11.302 24.510 1.00 34.34 H new ATOM 0 HG LEU A 91 -14.918 -11.331 24.639 1.00 53.15 H new ATOM 0 HD11 LEU A 91 -14.802 -13.661 23.740 1.00 42.22 H new ATOM 0 HD12 LEU A 91 -15.441 -13.606 25.401 1.00 42.22 H new ATOM 0 HD13 LEU A 91 -16.550 -13.835 24.028 1.00 42.22 H new ATOM 0 HD21 LEU A 91 -15.151 -11.876 22.195 1.00 13.42 H new ATOM 0 HD22 LEU A 91 -16.918 -11.933 22.403 1.00 13.42 H new ATOM 0 HD23 LEU A 91 -16.042 -10.402 22.643 1.00 13.42 H new ATOM 1451 N ASP A 92 -18.401 -9.501 27.497 1.00 32.45 N ATOM 1452 CA ASP A 92 -19.524 -8.900 28.206 1.00 14.15 C ATOM 1453 C ASP A 92 -19.338 -7.396 28.431 1.00 22.12 C ATOM 1454 O ASP A 92 -20.272 -6.632 28.207 1.00 35.01 O ATOM 1455 CB ASP A 92 -19.760 -9.645 29.555 1.00 40.21 C ATOM 1456 CG ASP A 92 -21.045 -9.233 30.272 1.00 64.45 C ATOM 1457 OD1 ASP A 92 -20.938 -8.711 31.412 1.00 50.44 O ATOM 1458 OD2 ASP A 92 -22.137 -9.461 29.693 1.00 63.03 O ATOM 0 H ASP A 92 -17.897 -10.185 28.062 1.00 32.45 H new ATOM 0 HA ASP A 92 -20.408 -9.009 27.578 1.00 14.15 H new ATOM 0 HB2 ASP A 92 -19.789 -10.718 29.366 1.00 40.21 H new ATOM 0 HB3 ASP A 92 -18.912 -9.460 30.214 1.00 40.21 H new ATOM 1463 N ILE A 93 -18.121 -6.929 28.826 1.00 2.24 N ATOM 1464 CA ILE A 93 -17.780 -5.511 28.992 1.00 21.15 C ATOM 1465 C ILE A 93 -17.970 -4.780 27.687 1.00 23.31 C ATOM 1466 O ILE A 93 -18.584 -3.717 27.656 1.00 52.33 O ATOM 1467 CB ILE A 93 -16.325 -5.250 29.422 1.00 53.41 C ATOM 1468 CG1 ILE A 93 -16.005 -5.691 30.868 1.00 42.11 C ATOM 1469 CG2 ILE A 93 -15.951 -3.755 29.265 1.00 73.23 C ATOM 1470 CD1 ILE A 93 -14.497 -5.722 31.192 1.00 13.10 C ATOM 0 H ILE A 93 -17.342 -7.552 29.039 1.00 2.24 H new ATOM 0 HA ILE A 93 -18.443 -5.159 29.782 1.00 21.15 H new ATOM 0 HB ILE A 93 -15.725 -5.866 28.752 1.00 53.41 H new ATOM 0 HG12 ILE A 93 -16.502 -5.014 31.563 1.00 42.11 H new ATOM 0 HG13 ILE A 93 -16.423 -6.683 31.036 1.00 42.11 H new ATOM 0 HG21 ILE A 93 -14.918 -3.604 29.577 1.00 73.23 H new ATOM 0 HG22 ILE A 93 -16.062 -3.460 28.222 1.00 73.23 H new ATOM 0 HG23 ILE A 93 -16.610 -3.148 29.886 1.00 73.23 H new ATOM 0 HD11 ILE A 93 -14.353 -6.041 32.224 1.00 13.10 H new ATOM 0 HD12 ILE A 93 -13.995 -6.421 30.523 1.00 13.10 H new ATOM 0 HD13 ILE A 93 -14.075 -4.726 31.058 1.00 13.10 H new ATOM 1482 N LYS A 94 -17.492 -5.357 26.563 1.00 62.43 N ATOM 1483 CA LYS A 94 -17.605 -4.751 25.257 1.00 2.04 C ATOM 1484 C LYS A 94 -19.023 -4.515 24.878 1.00 71.43 C ATOM 1485 O LYS A 94 -19.419 -3.400 24.563 1.00 50.41 O ATOM 1486 CB LYS A 94 -17.015 -5.692 24.166 1.00 15.02 C ATOM 1487 CG LYS A 94 -17.293 -5.196 22.741 1.00 2.22 C ATOM 1488 CD LYS A 94 -16.852 -6.078 21.569 1.00 15.14 C ATOM 1489 CE LYS A 94 -17.571 -5.521 20.345 1.00 1.20 C ATOM 1490 NZ LYS A 94 -16.967 -5.958 19.079 1.00 4.21 N ATOM 0 H LYS A 94 -17.018 -6.260 26.557 1.00 62.43 H new ATOM 0 HA LYS A 94 -17.063 -3.807 25.313 1.00 2.04 H new ATOM 0 HB2 LYS A 94 -15.938 -5.780 24.312 1.00 15.02 H new ATOM 0 HB3 LYS A 94 -17.436 -6.690 24.287 1.00 15.02 H new ATOM 0 HG2 LYS A 94 -18.367 -5.032 22.649 1.00 2.22 H new ATOM 0 HG3 LYS A 94 -16.811 -4.225 22.627 1.00 2.22 H new ATOM 0 HD2 LYS A 94 -15.770 -6.044 21.438 1.00 15.14 H new ATOM 0 HD3 LYS A 94 -17.120 -7.121 21.740 1.00 15.14 H new ATOM 0 HE2 LYS A 94 -18.615 -5.833 20.370 1.00 1.20 H new ATOM 0 HE3 LYS A 94 -17.562 -4.432 20.389 1.00 1.20 H new ATOM 0 HZ1 LYS A 94 -17.496 -5.549 18.283 1.00 4.21 H new ATOM 0 HZ2 LYS A 94 -15.978 -5.639 19.038 1.00 4.21 H new ATOM 0 HZ3 LYS A 94 -16.998 -6.996 19.019 1.00 4.21 H new ATOM 1504 N HIS A 95 -19.870 -5.543 24.965 1.00 31.03 N ATOM 1505 CA HIS A 95 -21.216 -5.372 24.505 1.00 31.42 C ATOM 1506 C HIS A 95 -22.033 -4.539 25.493 1.00 41.14 C ATOM 1507 O HIS A 95 -22.967 -3.842 25.102 1.00 20.41 O ATOM 1508 CB HIS A 95 -21.846 -6.745 24.241 1.00 12.20 C ATOM 1509 CG HIS A 95 -21.254 -7.372 23.009 1.00 23.02 C ATOM 1510 ND1 HIS A 95 -21.563 -6.884 21.770 1.00 0.23 N ATOM 1511 CD2 HIS A 95 -20.295 -8.309 22.834 1.00 30.02 C ATOM 1512 CE1 HIS A 95 -20.819 -7.498 20.872 1.00 51.10 C ATOM 1513 NE2 HIS A 95 -20.039 -8.364 21.491 1.00 2.15 N ATOM 0 H HIS A 95 -19.643 -6.465 25.338 1.00 31.03 H new ATOM 0 HA HIS A 95 -21.209 -4.818 23.567 1.00 31.42 H new ATOM 0 HB2 HIS A 95 -21.685 -7.396 25.100 1.00 12.20 H new ATOM 0 HB3 HIS A 95 -22.924 -6.639 24.119 1.00 12.20 H new ATOM 0 HD2 HIS A 95 -19.823 -8.900 23.605 1.00 30.02 H new ATOM 0 HE1 HIS A 95 -20.844 -7.322 19.807 1.00 51.10 H new ATOM 0 HE2 HIS A 95 -19.357 -8.975 21.042 1.00 2.15 H new ATOM 1522 N SER A 96 -21.664 -4.549 26.799 1.00 70.32 N ATOM 1523 CA SER A 96 -22.253 -3.685 27.819 1.00 61.04 C ATOM 1524 C SER A 96 -21.940 -2.216 27.653 1.00 2.14 C ATOM 1525 O SER A 96 -22.768 -1.337 27.848 1.00 72.11 O ATOM 1526 CB SER A 96 -21.818 -4.135 29.240 1.00 3.10 C ATOM 1527 OG SER A 96 -22.437 -3.401 30.298 1.00 44.42 O ATOM 0 H SER A 96 -20.940 -5.169 27.163 1.00 70.32 H new ATOM 0 HA SER A 96 -23.330 -3.795 27.690 1.00 61.04 H new ATOM 0 HB2 SER A 96 -22.050 -5.193 29.362 1.00 3.10 H new ATOM 0 HB3 SER A 96 -20.736 -4.034 29.326 1.00 3.10 H new ATOM 0 HG SER A 96 -22.118 -3.739 31.161 1.00 44.42 H new ATOM 1533 N CYS A 97 -20.695 -1.914 27.305 1.00 43.31 N ATOM 1534 CA CYS A 97 -20.255 -0.606 26.887 1.00 44.34 C ATOM 1535 C CYS A 97 -20.811 -0.130 25.567 1.00 5.53 C ATOM 1536 O CYS A 97 -21.170 1.034 25.419 1.00 4.30 O ATOM 1537 CB CYS A 97 -18.720 -0.536 26.888 1.00 31.53 C ATOM 1538 SG CYS A 97 -18.007 -0.223 28.519 1.00 33.24 S ATOM 0 H CYS A 97 -19.944 -2.604 27.309 1.00 43.31 H new ATOM 0 HA CYS A 97 -20.666 0.084 27.624 1.00 44.34 H new ATOM 0 HB2 CYS A 97 -18.322 -1.474 26.502 1.00 31.53 H new ATOM 0 HB3 CYS A 97 -18.401 0.251 26.205 1.00 31.53 H new ATOM 1543 N GLU A 98 -20.900 -1.004 24.548 1.00 54.13 N ATOM 1544 CA GLU A 98 -21.247 -0.579 23.195 1.00 50.53 C ATOM 1545 C GLU A 98 -22.678 -0.114 23.046 1.00 12.22 C ATOM 1546 O GLU A 98 -23.022 0.588 22.101 1.00 61.32 O ATOM 1547 CB GLU A 98 -20.811 -1.596 22.142 1.00 34.31 C ATOM 1548 CG GLU A 98 -21.403 -2.957 22.240 1.00 22.25 C ATOM 1549 CD GLU A 98 -22.616 -3.350 21.396 1.00 34.11 C ATOM 1550 OE1 GLU A 98 -23.219 -2.485 20.717 1.00 45.30 O ATOM 1551 OE2 GLU A 98 -22.922 -4.577 21.411 1.00 64.21 O ATOM 0 H GLU A 98 -20.735 -2.006 24.644 1.00 54.13 H new ATOM 0 HA GLU A 98 -20.661 0.320 23.003 1.00 50.53 H new ATOM 0 HB2 GLU A 98 -21.051 -1.191 21.159 1.00 34.31 H new ATOM 0 HB3 GLU A 98 -19.726 -1.693 22.191 1.00 34.31 H new ATOM 0 HG2 GLU A 98 -20.610 -3.668 22.009 1.00 22.25 H new ATOM 0 HG3 GLU A 98 -21.676 -3.112 23.284 1.00 22.25 H new ATOM 1558 N LYS A 99 -23.536 -0.477 24.023 1.00 72.30 N ATOM 1559 CA LYS A 99 -24.907 -0.007 24.098 1.00 23.54 C ATOM 1560 C LYS A 99 -25.037 1.326 24.840 1.00 40.42 C ATOM 1561 O LYS A 99 -26.028 2.030 24.655 1.00 3.41 O ATOM 1562 CB LYS A 99 -25.802 -1.099 24.743 1.00 34.51 C ATOM 1563 CG LYS A 99 -25.528 -1.327 26.234 1.00 12.05 C ATOM 1564 CD LYS A 99 -25.946 -2.700 26.787 1.00 34.22 C ATOM 1565 CE LYS A 99 -27.425 -3.032 26.588 1.00 13.22 C ATOM 1566 NZ LYS A 99 -27.720 -4.359 27.163 1.00 32.53 N ATOM 0 H LYS A 99 -23.280 -1.110 24.781 1.00 72.30 H new ATOM 0 HA LYS A 99 -25.247 0.181 23.080 1.00 23.54 H new ATOM 0 HB2 LYS A 99 -26.848 -0.820 24.614 1.00 34.51 H new ATOM 0 HB3 LYS A 99 -25.655 -2.038 24.209 1.00 34.51 H new ATOM 0 HG2 LYS A 99 -24.461 -1.193 26.413 1.00 12.05 H new ATOM 0 HG3 LYS A 99 -26.046 -0.554 26.802 1.00 12.05 H new ATOM 0 HD2 LYS A 99 -25.344 -3.471 26.306 1.00 34.22 H new ATOM 0 HD3 LYS A 99 -25.717 -2.735 27.852 1.00 34.22 H new ATOM 0 HE2 LYS A 99 -28.045 -2.273 27.065 1.00 13.22 H new ATOM 0 HE3 LYS A 99 -27.670 -3.023 25.526 1.00 13.22 H new ATOM 0 HZ1 LYS A 99 -28.727 -4.581 27.026 1.00 32.53 H new ATOM 0 HZ2 LYS A 99 -27.139 -5.080 26.689 1.00 32.53 H new ATOM 0 HZ3 LYS A 99 -27.503 -4.353 28.180 1.00 32.53 H new ATOM 1580 N VAL A 100 -24.054 1.716 25.704 1.00 24.41 N ATOM 1581 CA VAL A 100 -24.145 2.914 26.531 1.00 41.31 C ATOM 1582 C VAL A 100 -23.420 4.086 25.900 1.00 55.33 C ATOM 1583 O VAL A 100 -23.770 5.246 26.114 1.00 12.53 O ATOM 1584 CB VAL A 100 -23.624 2.718 27.961 1.00 34.50 C ATOM 1585 CG1 VAL A 100 -24.454 1.608 28.619 1.00 35.53 C ATOM 1586 CG2 VAL A 100 -22.122 2.415 28.061 1.00 12.40 C ATOM 0 H VAL A 100 -23.186 1.196 25.832 1.00 24.41 H new ATOM 0 HA VAL A 100 -25.212 3.127 26.593 1.00 41.31 H new ATOM 0 HB VAL A 100 -23.741 3.667 28.485 1.00 34.50 H new ATOM 0 HG11 VAL A 100 -24.104 1.448 29.639 1.00 35.53 H new ATOM 0 HG12 VAL A 100 -25.504 1.901 28.638 1.00 35.53 H new ATOM 0 HG13 VAL A 100 -24.345 0.685 28.049 1.00 35.53 H new ATOM 0 HG21 VAL A 100 -21.845 2.292 29.108 1.00 12.40 H new ATOM 0 HG22 VAL A 100 -21.899 1.498 27.516 1.00 12.40 H new ATOM 0 HG23 VAL A 100 -21.555 3.240 27.630 1.00 12.40 H new ATOM 1596 N ILE A 101 -22.382 3.793 25.094 1.00 41.40 N ATOM 1597 CA ILE A 101 -21.613 4.777 24.344 1.00 12.41 C ATOM 1598 C ILE A 101 -22.353 5.431 23.189 1.00 12.44 C ATOM 1599 O ILE A 101 -23.311 4.903 22.627 1.00 72.21 O ATOM 1600 CB ILE A 101 -20.305 4.232 23.806 1.00 23.21 C ATOM 1601 CG1 ILE A 101 -20.527 3.029 22.869 1.00 3.13 C ATOM 1602 CG2 ILE A 101 -19.334 3.910 24.961 1.00 45.14 C ATOM 1603 CD1 ILE A 101 -19.714 3.114 21.586 1.00 35.43 C ATOM 0 H ILE A 101 -22.055 2.838 24.950 1.00 41.40 H new ATOM 0 HA ILE A 101 -21.422 5.539 25.100 1.00 12.41 H new ATOM 0 HB ILE A 101 -19.840 5.007 23.196 1.00 23.21 H new ATOM 0 HG12 ILE A 101 -20.266 2.112 23.397 1.00 3.13 H new ATOM 0 HG13 ILE A 101 -21.586 2.962 22.618 1.00 3.13 H new ATOM 0 HG21 ILE A 101 -18.401 3.520 24.554 1.00 45.14 H new ATOM 0 HG22 ILE A 101 -19.131 4.818 25.529 1.00 45.14 H new ATOM 0 HG23 ILE A 101 -19.783 3.164 25.617 1.00 45.14 H new ATOM 0 HD11 ILE A 101 -19.915 2.238 20.969 1.00 35.43 H new ATOM 0 HD12 ILE A 101 -19.992 4.014 21.038 1.00 35.43 H new ATOM 0 HD13 ILE A 101 -18.652 3.151 21.830 1.00 35.43 H new ATOM 1615 N THR A 102 -21.876 6.632 22.778 1.00 11.04 N ATOM 1616 CA THR A 102 -22.255 7.216 21.498 1.00 62.43 C ATOM 1617 C THR A 102 -21.714 6.435 20.322 1.00 30.11 C ATOM 1618 O THR A 102 -20.518 6.173 20.200 1.00 21.14 O ATOM 1619 CB THR A 102 -21.880 8.691 21.355 1.00 32.22 C ATOM 1620 OG1 THR A 102 -22.582 9.471 22.315 1.00 23.10 O ATOM 1621 CG2 THR A 102 -22.172 9.260 19.948 1.00 33.42 C ATOM 0 H THR A 102 -21.230 7.202 23.324 1.00 11.04 H new ATOM 0 HA THR A 102 -23.343 7.156 21.489 1.00 62.43 H new ATOM 0 HB THR A 102 -20.804 8.747 21.519 1.00 32.22 H new ATOM 0 HG1 THR A 102 -22.333 10.414 22.216 1.00 23.10 H new ATOM 0 HG21 THR A 102 -21.883 10.310 19.913 1.00 33.42 H new ATOM 0 HG22 THR A 102 -21.602 8.702 19.205 1.00 33.42 H new ATOM 0 HG23 THR A 102 -23.237 9.169 19.732 1.00 33.42 H new ATOM 1629 N ILE A 103 -22.644 6.093 19.413 1.00 13.32 N ATOM 1630 CA ILE A 103 -22.501 5.382 18.181 1.00 12.24 C ATOM 1631 C ILE A 103 -22.848 6.401 17.163 1.00 73.12 C ATOM 1632 O ILE A 103 -23.849 7.108 17.286 1.00 24.21 O ATOM 1633 CB ILE A 103 -23.448 4.211 18.017 1.00 0.54 C ATOM 1634 CG1 ILE A 103 -23.161 3.192 19.136 1.00 44.12 C ATOM 1635 CG2 ILE A 103 -23.432 3.631 16.573 1.00 65.41 C ATOM 1636 CD1 ILE A 103 -24.089 1.988 19.102 1.00 14.12 C ATOM 0 H ILE A 103 -23.619 6.350 19.566 1.00 13.32 H new ATOM 0 HA ILE A 103 -21.502 4.953 18.112 1.00 12.24 H new ATOM 0 HB ILE A 103 -24.481 4.539 18.134 1.00 0.54 H new ATOM 0 HG12 ILE A 103 -22.129 2.850 19.051 1.00 44.12 H new ATOM 0 HG13 ILE A 103 -23.254 3.687 20.102 1.00 44.12 H new ATOM 0 HG21 ILE A 103 -24.128 2.794 16.509 1.00 65.41 H new ATOM 0 HG22 ILE A 103 -23.730 4.406 15.866 1.00 65.41 H new ATOM 0 HG23 ILE A 103 -22.427 3.286 16.330 1.00 65.41 H new ATOM 0 HD11 ILE A 103 -23.834 1.309 19.916 1.00 14.12 H new ATOM 0 HD12 ILE A 103 -25.121 2.320 19.217 1.00 14.12 H new ATOM 0 HD13 ILE A 103 -23.978 1.470 18.149 1.00 14.12 H new ATOM 1648 N VAL A 104 -22.013 6.506 16.133 1.00 63.24 N ATOM 1649 CA VAL A 104 -22.270 7.429 15.074 1.00 64.34 C ATOM 1650 C VAL A 104 -22.504 6.588 13.846 1.00 61.13 C ATOM 1651 O VAL A 104 -21.691 5.742 13.479 1.00 41.43 O ATOM 1652 CB VAL A 104 -21.107 8.314 14.797 1.00 1.24 C ATOM 1653 CG1 VAL A 104 -21.431 9.372 13.779 1.00 15.14 C ATOM 1654 CG2 VAL A 104 -20.465 8.936 16.032 1.00 5.51 C ATOM 0 H VAL A 104 -21.160 5.958 16.025 1.00 63.24 H new ATOM 0 HA VAL A 104 -23.112 8.066 15.345 1.00 64.34 H new ATOM 0 HB VAL A 104 -20.357 7.641 14.381 1.00 1.24 H new ATOM 0 HG11 VAL A 104 -20.552 9.994 13.609 1.00 15.14 H new ATOM 0 HG12 VAL A 104 -21.727 8.898 12.843 1.00 15.14 H new ATOM 0 HG13 VAL A 104 -22.249 9.992 14.146 1.00 15.14 H new ATOM 0 HG21 VAL A 104 -19.627 9.564 15.729 1.00 5.51 H new ATOM 0 HG22 VAL A 104 -21.202 9.543 16.558 1.00 5.51 H new ATOM 0 HG23 VAL A 104 -20.107 8.146 16.693 1.00 5.51 H new ATOM 1664 N ALA A 105 -23.623 6.831 13.155 1.00 44.15 N ATOM 1665 CA ALA A 105 -23.904 6.235 11.870 1.00 74.23 C ATOM 1666 C ALA A 105 -22.925 6.619 10.766 1.00 3.42 C ATOM 1667 O ALA A 105 -22.445 5.779 10.011 1.00 44.11 O ATOM 1668 CB ALA A 105 -25.322 6.620 11.421 1.00 41.24 C ATOM 0 H ALA A 105 -24.359 7.455 13.486 1.00 44.15 H new ATOM 0 HA ALA A 105 -23.803 5.160 12.019 1.00 74.23 H new ATOM 0 HB1 ALA A 105 -25.532 6.169 10.451 1.00 41.24 H new ATOM 0 HB2 ALA A 105 -26.046 6.260 12.152 1.00 41.24 H new ATOM 0 HB3 ALA A 105 -25.396 7.704 11.341 1.00 41.24 H new ATOM 1674 N ASP A 106 -22.603 7.925 10.674 1.00 5.43 N ATOM 1675 CA ASP A 106 -21.637 8.492 9.756 1.00 2.11 C ATOM 1676 C ASP A 106 -20.197 8.049 9.995 1.00 11.24 C ATOM 1677 O ASP A 106 -19.422 7.906 9.053 1.00 21.04 O ATOM 1678 CB ASP A 106 -21.708 10.040 9.789 1.00 13.13 C ATOM 1679 CG ASP A 106 -23.045 10.512 9.230 1.00 31.54 C ATOM 1680 OD1 ASP A 106 -23.291 10.297 8.017 1.00 10.01 O ATOM 1681 OD2 ASP A 106 -23.834 11.077 10.031 1.00 22.54 O ATOM 0 H ASP A 106 -23.036 8.630 11.270 1.00 5.43 H new ATOM 0 HA ASP A 106 -21.916 8.109 8.775 1.00 2.11 H new ATOM 0 HB2 ASP A 106 -21.586 10.396 10.812 1.00 13.13 H new ATOM 0 HB3 ASP A 106 -20.891 10.462 9.205 1.00 13.13 H new ATOM 1686 N ASP A 107 -19.792 7.901 11.273 1.00 4.40 N ATOM 1687 CA ASP A 107 -18.394 7.825 11.649 1.00 74.22 C ATOM 1688 C ASP A 107 -18.183 6.548 12.466 1.00 41.53 C ATOM 1689 O ASP A 107 -18.390 6.601 13.678 1.00 23.23 O ATOM 1690 CB ASP A 107 -18.007 9.069 12.506 1.00 14.35 C ATOM 1691 CG ASP A 107 -16.505 9.207 12.717 1.00 64.20 C ATOM 1692 OD1 ASP A 107 -15.815 9.645 11.761 1.00 34.52 O ATOM 1693 OD2 ASP A 107 -16.036 8.851 13.829 1.00 73.53 O ATOM 0 H ASP A 107 -20.436 7.832 12.061 1.00 4.40 H new ATOM 0 HA ASP A 107 -17.768 7.808 10.757 1.00 74.22 H new ATOM 0 HB2 ASP A 107 -18.383 9.969 12.020 1.00 14.35 H new ATOM 0 HB3 ASP A 107 -18.499 9.001 13.476 1.00 14.35 H new ATOM 1698 N PRO A 108 -17.739 5.405 11.952 1.00 64.51 N ATOM 1699 CA PRO A 108 -17.568 4.189 12.752 1.00 61.11 C ATOM 1700 C PRO A 108 -16.422 4.307 13.741 1.00 10.23 C ATOM 1701 O PRO A 108 -16.273 3.452 14.613 1.00 12.23 O ATOM 1702 CB PRO A 108 -17.290 3.107 11.696 1.00 5.42 C ATOM 1703 CG PRO A 108 -16.633 3.868 10.540 1.00 5.43 C ATOM 1704 CD PRO A 108 -17.397 5.192 10.542 1.00 71.41 C ATOM 0 HA PRO A 108 -18.439 3.972 13.370 1.00 61.11 H new ATOM 0 HB2 PRO A 108 -16.632 2.330 12.086 1.00 5.42 H new ATOM 0 HB3 PRO A 108 -18.210 2.616 11.378 1.00 5.42 H new ATOM 0 HG2 PRO A 108 -15.566 4.015 10.705 1.00 5.43 H new ATOM 0 HG3 PRO A 108 -16.739 3.339 9.593 1.00 5.43 H new ATOM 0 HD2 PRO A 108 -16.785 6.006 10.153 1.00 71.41 H new ATOM 0 HD3 PRO A 108 -18.290 5.138 9.919 1.00 71.41 H new ATOM 1712 N CYS A 109 -15.576 5.342 13.591 1.00 32.41 N ATOM 1713 CA CYS A 109 -14.366 5.532 14.340 1.00 35.33 C ATOM 1714 C CYS A 109 -14.684 5.976 15.761 1.00 21.00 C ATOM 1715 O CYS A 109 -14.140 5.441 16.723 1.00 2.30 O ATOM 1716 CB CYS A 109 -13.477 6.558 13.610 1.00 51.24 C ATOM 1717 SG CYS A 109 -13.085 6.023 11.908 1.00 74.32 S ATOM 0 H CYS A 109 -15.742 6.086 12.913 1.00 32.41 H new ATOM 0 HA CYS A 109 -13.823 4.589 14.411 1.00 35.33 H new ATOM 0 HB2 CYS A 109 -13.984 7.523 13.581 1.00 51.24 H new ATOM 0 HB3 CYS A 109 -12.552 6.701 14.169 1.00 51.24 H new ATOM 1722 N GLN A 110 -15.643 6.924 15.937 1.00 74.40 N ATOM 1723 CA GLN A 110 -16.148 7.336 17.240 1.00 13.12 C ATOM 1724 C GLN A 110 -16.797 6.190 17.964 1.00 53.02 C ATOM 1725 O GLN A 110 -16.494 5.958 19.125 1.00 71.05 O ATOM 1726 CB GLN A 110 -17.188 8.487 17.142 1.00 3.31 C ATOM 1727 CG GLN A 110 -16.835 9.745 17.969 1.00 71.12 C ATOM 1728 CD GLN A 110 -15.964 10.688 17.146 1.00 42.54 C ATOM 1729 OE1 GLN A 110 -16.253 11.877 16.997 1.00 50.51 O ATOM 1730 NE2 GLN A 110 -14.907 10.107 16.532 1.00 13.42 N ATOM 0 H GLN A 110 -16.080 7.418 15.159 1.00 74.40 H new ATOM 0 HA GLN A 110 -15.276 7.689 17.790 1.00 13.12 H new ATOM 0 HB2 GLN A 110 -17.295 8.774 16.096 1.00 3.31 H new ATOM 0 HB3 GLN A 110 -18.157 8.112 17.471 1.00 3.31 H new ATOM 0 HG2 GLN A 110 -17.748 10.256 18.276 1.00 71.12 H new ATOM 0 HG3 GLN A 110 -16.311 9.455 18.880 1.00 71.12 H new ATOM 0 HE21 GLN A 110 -14.708 9.119 16.686 1.00 13.42 H new ATOM 0 HE22 GLN A 110 -14.310 10.657 15.915 1.00 13.42 H new ATOM 1739 N THR A 111 -17.626 5.393 17.254 1.00 1.53 N ATOM 1740 CA THR A 111 -18.261 4.190 17.801 1.00 41.00 C ATOM 1741 C THR A 111 -17.221 3.237 18.387 1.00 60.42 C ATOM 1742 O THR A 111 -17.364 2.770 19.513 1.00 74.44 O ATOM 1743 CB THR A 111 -19.017 3.434 16.710 1.00 33.53 C ATOM 1744 OG1 THR A 111 -20.002 4.278 16.126 1.00 22.22 O ATOM 1745 CG2 THR A 111 -19.710 2.141 17.197 1.00 34.34 C ATOM 0 H THR A 111 -17.870 5.574 16.280 1.00 1.53 H new ATOM 0 HA THR A 111 -18.947 4.521 18.581 1.00 41.00 H new ATOM 0 HB THR A 111 -18.259 3.139 15.984 1.00 33.53 H new ATOM 0 HG1 THR A 111 -20.481 3.786 15.426 1.00 22.22 H new ATOM 0 HG21 THR A 111 -20.223 1.666 16.361 1.00 34.34 H new ATOM 0 HG22 THR A 111 -18.963 1.457 17.600 1.00 34.34 H new ATOM 0 HG23 THR A 111 -20.433 2.387 17.975 1.00 34.34 H new ATOM 1753 N MET A 112 -16.116 2.959 17.662 1.00 64.24 N ATOM 1754 CA MET A 112 -15.050 2.105 18.138 1.00 1.02 C ATOM 1755 C MET A 112 -14.232 2.702 19.287 1.00 74.33 C ATOM 1756 O MET A 112 -13.997 2.052 20.299 1.00 52.01 O ATOM 1757 CB MET A 112 -14.086 1.764 16.977 1.00 4.11 C ATOM 1758 CG MET A 112 -13.150 0.586 17.300 1.00 72.22 C ATOM 1759 SD MET A 112 -14.050 -0.990 17.469 1.00 50.13 S ATOM 1760 CE MET A 112 -12.758 -1.922 18.335 1.00 3.34 C ATOM 0 H MET A 112 -15.955 3.332 16.726 1.00 64.24 H new ATOM 0 HA MET A 112 -15.543 1.213 18.525 1.00 1.02 H new ATOM 0 HB2 MET A 112 -14.668 1.525 16.087 1.00 4.11 H new ATOM 0 HB3 MET A 112 -13.487 2.643 16.740 1.00 4.11 H new ATOM 0 HG2 MET A 112 -12.403 0.492 16.512 1.00 72.22 H new ATOM 0 HG3 MET A 112 -12.613 0.795 18.225 1.00 72.22 H new ATOM 0 HE1 MET A 112 -13.173 -2.858 18.709 1.00 3.34 H new ATOM 0 HE2 MET A 112 -11.941 -2.137 17.646 1.00 3.34 H new ATOM 0 HE3 MET A 112 -12.382 -1.332 19.171 1.00 3.34 H new ATOM 1770 N LEU A 113 -13.789 3.977 19.164 1.00 35.54 N ATOM 1771 CA LEU A 113 -12.974 4.691 20.146 1.00 12.32 C ATOM 1772 C LEU A 113 -13.712 4.956 21.432 1.00 33.14 C ATOM 1773 O LEU A 113 -13.198 4.701 22.521 1.00 12.50 O ATOM 1774 CB LEU A 113 -12.485 5.993 19.484 1.00 35.01 C ATOM 1775 CG LEU A 113 -11.332 6.857 20.063 1.00 50.34 C ATOM 1776 CD1 LEU A 113 -11.495 8.357 19.730 1.00 52.34 C ATOM 1777 CD2 LEU A 113 -10.829 6.605 21.483 1.00 71.33 C ATOM 0 H LEU A 113 -14.003 4.546 18.345 1.00 35.54 H new ATOM 0 HA LEU A 113 -12.125 4.071 20.434 1.00 12.32 H new ATOM 0 HB2 LEU A 113 -12.194 5.732 18.466 1.00 35.01 H new ATOM 0 HB3 LEU A 113 -13.354 6.647 19.410 1.00 35.01 H new ATOM 0 HG LEU A 113 -10.487 6.451 19.507 1.00 50.34 H new ATOM 0 HD11 LEU A 113 -10.663 8.917 20.157 1.00 52.34 H new ATOM 0 HD12 LEU A 113 -11.505 8.491 18.648 1.00 52.34 H new ATOM 0 HD13 LEU A 113 -12.432 8.723 20.149 1.00 52.34 H new ATOM 0 HD21 LEU A 113 -10.024 7.303 21.713 1.00 71.33 H new ATOM 0 HD22 LEU A 113 -11.646 6.749 22.189 1.00 71.33 H new ATOM 0 HD23 LEU A 113 -10.457 5.583 21.561 1.00 71.33 H new ATOM 1789 N ASN A 114 -14.983 5.407 21.329 1.00 31.01 N ATOM 1790 CA ASN A 114 -15.853 5.657 22.471 1.00 1.14 C ATOM 1791 C ASN A 114 -16.078 4.359 23.225 1.00 24.32 C ATOM 1792 O ASN A 114 -16.045 4.317 24.453 1.00 63.32 O ATOM 1793 CB ASN A 114 -17.265 6.193 22.115 1.00 73.11 C ATOM 1794 CG ASN A 114 -17.226 7.610 21.549 1.00 50.52 C ATOM 1795 OD1 ASN A 114 -16.289 8.387 21.738 1.00 60.15 O ATOM 1796 ND2 ASN A 114 -18.321 7.962 20.823 1.00 55.50 N ATOM 0 H ASN A 114 -15.427 5.606 20.432 1.00 31.01 H new ATOM 0 HA ASN A 114 -15.335 6.422 23.050 1.00 1.14 H new ATOM 0 HB2 ASN A 114 -17.730 5.527 21.388 1.00 73.11 H new ATOM 0 HB3 ASN A 114 -17.891 6.178 23.007 1.00 73.11 H new ATOM 0 HD21 ASN A 114 -18.384 8.895 20.415 1.00 55.50 H new ATOM 0 HD22 ASN A 114 -19.079 7.293 20.686 1.00 55.50 H new ATOM 1803 N LEU A 115 -16.284 3.243 22.485 1.00 3.10 N ATOM 1804 CA LEU A 115 -16.395 1.926 23.059 1.00 53.21 C ATOM 1805 C LEU A 115 -15.141 1.478 23.734 1.00 70.04 C ATOM 1806 O LEU A 115 -15.173 0.978 24.849 1.00 61.41 O ATOM 1807 CB LEU A 115 -16.751 0.888 21.985 1.00 5.02 C ATOM 1808 CG LEU A 115 -16.905 -0.554 22.509 1.00 30.31 C ATOM 1809 CD1 LEU A 115 -15.636 -1.408 22.533 1.00 64.34 C ATOM 1810 CD2 LEU A 115 -17.706 -0.676 23.796 1.00 72.24 C ATOM 0 H LEU A 115 -16.375 3.256 21.469 1.00 3.10 H new ATOM 0 HA LEU A 115 -17.187 1.998 23.805 1.00 53.21 H new ATOM 0 HB2 LEU A 115 -17.683 1.187 21.505 1.00 5.02 H new ATOM 0 HB3 LEU A 115 -15.978 0.900 21.217 1.00 5.02 H new ATOM 0 HG LEU A 115 -17.512 -1.001 21.722 1.00 30.31 H new ATOM 0 HD11 LEU A 115 -15.872 -2.399 22.921 1.00 64.34 H new ATOM 0 HD12 LEU A 115 -15.239 -1.499 21.522 1.00 64.34 H new ATOM 0 HD13 LEU A 115 -14.892 -0.936 23.174 1.00 64.34 H new ATOM 0 HD21 LEU A 115 -17.763 -1.724 24.091 1.00 72.24 H new ATOM 0 HD22 LEU A 115 -17.217 -0.103 24.584 1.00 72.24 H new ATOM 0 HD23 LEU A 115 -18.712 -0.288 23.636 1.00 72.24 H new ATOM 1822 N ALA A 116 -14.000 1.668 23.064 1.00 74.43 N ATOM 1823 CA ALA A 116 -12.699 1.228 23.515 1.00 71.45 C ATOM 1824 C ALA A 116 -12.311 1.921 24.795 1.00 11.43 C ATOM 1825 O ALA A 116 -11.806 1.296 25.728 1.00 45.10 O ATOM 1826 CB ALA A 116 -11.615 1.483 22.453 1.00 5.35 C ATOM 0 H ALA A 116 -13.968 2.149 22.165 1.00 74.43 H new ATOM 0 HA ALA A 116 -12.771 0.155 23.691 1.00 71.45 H new ATOM 0 HB1 ALA A 116 -10.651 1.139 22.828 1.00 5.35 H new ATOM 0 HB2 ALA A 116 -11.864 0.940 21.541 1.00 5.35 H new ATOM 0 HB3 ALA A 116 -11.561 2.550 22.237 1.00 5.35 H new ATOM 1832 N MET A 117 -12.579 3.247 24.869 1.00 42.52 N ATOM 1833 CA MET A 117 -12.328 4.012 26.063 1.00 75.12 C ATOM 1834 C MET A 117 -13.298 3.616 27.189 1.00 71.45 C ATOM 1835 O MET A 117 -12.904 3.642 28.349 1.00 62.22 O ATOM 1836 CB MET A 117 -12.305 5.554 25.761 1.00 64.11 C ATOM 1837 CG MET A 117 -13.671 6.231 25.548 1.00 44.34 C ATOM 1838 SD MET A 117 -13.649 8.056 25.542 1.00 43.42 S ATOM 1839 CE MET A 117 -12.669 8.349 24.046 1.00 53.22 C ATOM 0 H MET A 117 -12.971 3.790 24.099 1.00 42.52 H new ATOM 0 HA MET A 117 -11.330 3.769 26.428 1.00 75.12 H new ATOM 0 HB2 MET A 117 -11.800 6.056 26.586 1.00 64.11 H new ATOM 0 HB3 MET A 117 -11.700 5.718 24.870 1.00 64.11 H new ATOM 0 HG2 MET A 117 -14.084 5.887 24.600 1.00 44.34 H new ATOM 0 HG3 MET A 117 -14.350 5.895 26.332 1.00 44.34 H new ATOM 0 HE1 MET A 117 -12.526 9.421 23.909 1.00 53.22 H new ATOM 0 HE2 MET A 117 -11.698 7.863 24.146 1.00 53.22 H new ATOM 0 HE3 MET A 117 -13.192 7.939 23.182 1.00 53.22 H new ATOM 1849 N CYS A 118 -14.563 3.183 26.889 1.00 3.53 N ATOM 1850 CA CYS A 118 -15.461 2.565 27.883 1.00 20.44 C ATOM 1851 C CYS A 118 -15.026 1.167 28.298 1.00 23.24 C ATOM 1852 O CYS A 118 -14.962 0.853 29.485 1.00 73.20 O ATOM 1853 CB CYS A 118 -16.946 2.496 27.407 1.00 50.53 C ATOM 1854 SG CYS A 118 -18.170 1.819 28.610 1.00 50.30 S ATOM 0 H CYS A 118 -14.972 3.258 25.958 1.00 3.53 H new ATOM 0 HA CYS A 118 -15.392 3.229 28.745 1.00 20.44 H new ATOM 0 HB2 CYS A 118 -17.262 3.502 27.130 1.00 50.53 H new ATOM 0 HB3 CYS A 118 -16.986 1.889 26.503 1.00 50.53 H new ATOM 1859 N PHE A 119 -14.665 0.290 27.333 1.00 21.14 N ATOM 1860 CA PHE A 119 -14.119 -1.029 27.609 1.00 14.23 C ATOM 1861 C PHE A 119 -12.898 -1.039 28.512 1.00 61.13 C ATOM 1862 O PHE A 119 -12.848 -1.768 29.505 1.00 70.14 O ATOM 1863 CB PHE A 119 -13.767 -1.665 26.243 1.00 5.13 C ATOM 1864 CG PHE A 119 -13.050 -2.989 26.327 1.00 43.44 C ATOM 1865 CD1 PHE A 119 -11.643 -2.986 26.277 1.00 31.32 C ATOM 1866 CD2 PHE A 119 -13.722 -4.201 26.536 1.00 24.33 C ATOM 1867 CE1 PHE A 119 -10.920 -4.168 26.451 1.00 32.32 C ATOM 1868 CE2 PHE A 119 -12.995 -5.383 26.721 1.00 61.24 C ATOM 1869 CZ PHE A 119 -11.598 -5.368 26.680 1.00 3.42 C ATOM 0 H PHE A 119 -14.751 0.494 26.337 1.00 21.14 H new ATOM 0 HA PHE A 119 -14.873 -1.592 28.159 1.00 14.23 H new ATOM 0 HB2 PHE A 119 -14.687 -1.801 25.674 1.00 5.13 H new ATOM 0 HB3 PHE A 119 -13.146 -0.966 25.682 1.00 5.13 H new ATOM 0 HD1 PHE A 119 -11.117 -2.059 26.102 1.00 31.32 H new ATOM 0 HD2 PHE A 119 -14.802 -4.223 26.554 1.00 24.33 H new ATOM 0 HE1 PHE A 119 -9.841 -4.155 26.409 1.00 32.32 H new ATOM 0 HE2 PHE A 119 -13.517 -6.312 26.896 1.00 61.24 H new ATOM 0 HZ PHE A 119 -11.043 -6.283 26.825 1.00 3.42 H new ATOM 1879 N LYS A 120 -11.905 -0.183 28.211 1.00 72.30 N ATOM 1880 CA LYS A 120 -10.732 0.005 29.008 1.00 45.42 C ATOM 1881 C LYS A 120 -11.050 0.542 30.391 1.00 44.54 C ATOM 1882 O LYS A 120 -10.365 0.248 31.370 1.00 70.31 O ATOM 1883 CB LYS A 120 -9.751 0.920 28.233 1.00 24.41 C ATOM 1884 CG LYS A 120 -8.429 1.263 28.937 1.00 21.44 C ATOM 1885 CD LYS A 120 -7.554 0.050 29.293 1.00 53.14 C ATOM 1886 CE LYS A 120 -6.154 0.396 29.804 1.00 75.02 C ATOM 1887 NZ LYS A 120 -6.244 1.069 31.113 1.00 73.03 N ATOM 0 H LYS A 120 -11.920 0.403 27.376 1.00 72.30 H new ATOM 0 HA LYS A 120 -10.260 -0.962 29.182 1.00 45.42 H new ATOM 0 HB2 LYS A 120 -9.517 0.441 27.283 1.00 24.41 H new ATOM 0 HB3 LYS A 120 -10.266 1.852 28.001 1.00 24.41 H new ATOM 0 HG2 LYS A 120 -7.855 1.931 28.295 1.00 21.44 H new ATOM 0 HG3 LYS A 120 -8.653 1.813 29.851 1.00 21.44 H new ATOM 0 HD2 LYS A 120 -8.067 -0.540 30.053 1.00 53.14 H new ATOM 0 HD3 LYS A 120 -7.457 -0.582 28.410 1.00 53.14 H new ATOM 0 HE2 LYS A 120 -5.557 -0.511 29.893 1.00 75.02 H new ATOM 0 HE3 LYS A 120 -5.647 1.043 29.088 1.00 75.02 H new ATOM 0 HZ1 LYS A 120 -5.288 1.300 31.451 1.00 73.03 H new ATOM 0 HZ2 LYS A 120 -6.798 1.944 31.016 1.00 73.03 H new ATOM 0 HZ3 LYS A 120 -6.710 0.438 31.796 1.00 73.03 H new ATOM 1901 N ALA A 121 -12.136 1.335 30.499 1.00 74.02 N ATOM 1902 CA ALA A 121 -12.581 1.913 31.756 1.00 21.31 C ATOM 1903 C ALA A 121 -12.973 0.853 32.775 1.00 31.25 C ATOM 1904 O ALA A 121 -12.649 0.923 33.958 1.00 63.00 O ATOM 1905 CB ALA A 121 -13.785 2.847 31.519 1.00 13.10 C ATOM 0 H ALA A 121 -12.723 1.586 29.704 1.00 74.02 H new ATOM 0 HA ALA A 121 -11.738 2.475 32.158 1.00 21.31 H new ATOM 0 HB1 ALA A 121 -14.108 3.273 32.469 1.00 13.10 H new ATOM 0 HB2 ALA A 121 -13.495 3.650 30.841 1.00 13.10 H new ATOM 0 HB3 ALA A 121 -14.605 2.279 31.079 1.00 13.10 H new ATOM 1911 N GLU A 122 -13.699 -0.176 32.303 1.00 53.51 N ATOM 1912 CA GLU A 122 -14.110 -1.319 33.079 1.00 42.04 C ATOM 1913 C GLU A 122 -12.957 -2.238 33.501 1.00 52.22 C ATOM 1914 O GLU A 122 -12.842 -2.572 34.672 1.00 45.41 O ATOM 1915 CB GLU A 122 -15.194 -2.053 32.255 1.00 1.22 C ATOM 1916 CG GLU A 122 -16.526 -1.256 32.137 1.00 10.41 C ATOM 1917 CD GLU A 122 -17.295 -1.158 33.455 1.00 55.44 C ATOM 1918 OE1 GLU A 122 -17.820 -2.212 33.901 1.00 54.20 O ATOM 1919 OE2 GLU A 122 -17.380 -0.031 34.007 1.00 51.20 O ATOM 0 H GLU A 122 -14.018 -0.219 31.335 1.00 53.51 H new ATOM 0 HA GLU A 122 -14.513 -0.982 34.034 1.00 42.04 H new ATOM 0 HB2 GLU A 122 -14.808 -2.251 31.255 1.00 1.22 H new ATOM 0 HB3 GLU A 122 -15.397 -3.020 32.715 1.00 1.22 H new ATOM 0 HG2 GLU A 122 -16.308 -0.251 31.777 1.00 10.41 H new ATOM 0 HG3 GLU A 122 -17.160 -1.732 31.389 1.00 10.41 H new ATOM 1926 N ILE A 123 -12.009 -2.618 32.609 1.00 50.25 N ATOM 1927 CA ILE A 123 -10.823 -3.397 32.961 1.00 13.34 C ATOM 1928 C ILE A 123 -9.840 -2.660 33.857 1.00 72.25 C ATOM 1929 O ILE A 123 -9.078 -3.291 34.582 1.00 72.02 O ATOM 1930 CB ILE A 123 -10.092 -3.982 31.751 1.00 51.11 C ATOM 1931 CG1 ILE A 123 -9.467 -2.902 30.855 1.00 42.11 C ATOM 1932 CG2 ILE A 123 -11.059 -4.873 30.946 1.00 55.43 C ATOM 1933 CD1 ILE A 123 -8.804 -3.416 29.573 1.00 25.00 C ATOM 0 H ILE A 123 -12.058 -2.384 31.618 1.00 50.25 H new ATOM 0 HA ILE A 123 -11.232 -4.226 33.539 1.00 13.34 H new ATOM 0 HB ILE A 123 -9.264 -4.584 32.124 1.00 51.11 H new ATOM 0 HG12 ILE A 123 -10.243 -2.187 30.581 1.00 42.11 H new ATOM 0 HG13 ILE A 123 -8.723 -2.358 31.436 1.00 42.11 H new ATOM 0 HG21 ILE A 123 -10.538 -5.290 30.084 1.00 55.43 H new ATOM 0 HG22 ILE A 123 -11.419 -5.684 31.579 1.00 55.43 H new ATOM 0 HG23 ILE A 123 -11.905 -4.276 30.605 1.00 55.43 H new ATOM 0 HD11 ILE A 123 -8.395 -2.575 29.013 1.00 25.00 H new ATOM 0 HD12 ILE A 123 -8.001 -4.106 29.830 1.00 25.00 H new ATOM 0 HD13 ILE A 123 -9.544 -3.933 28.962 1.00 25.00 H new ATOM 1945 N HIS A 124 -9.863 -1.304 33.870 1.00 1.10 N ATOM 1946 CA HIS A 124 -9.158 -0.474 34.834 1.00 2.11 C ATOM 1947 C HIS A 124 -9.648 -0.715 36.258 1.00 12.10 C ATOM 1948 O HIS A 124 -8.859 -0.754 37.198 1.00 23.22 O ATOM 1949 CB HIS A 124 -9.302 1.035 34.491 1.00 41.45 C ATOM 1950 CG HIS A 124 -8.549 1.974 35.395 1.00 71.44 C ATOM 1951 ND1 HIS A 124 -7.184 2.049 35.411 1.00 62.42 N ATOM 1952 CD2 HIS A 124 -9.003 2.856 36.313 1.00 1.40 C ATOM 1953 CE1 HIS A 124 -6.819 2.949 36.307 1.00 53.53 C ATOM 1954 NE2 HIS A 124 -7.903 3.450 36.869 1.00 5.24 N ATOM 0 H HIS A 124 -10.390 -0.760 33.187 1.00 1.10 H new ATOM 0 HA HIS A 124 -8.107 -0.757 34.775 1.00 2.11 H new ATOM 0 HB2 HIS A 124 -8.963 1.192 33.467 1.00 41.45 H new ATOM 0 HB3 HIS A 124 -10.359 1.298 34.520 1.00 41.45 H new ATOM 0 HD2 HIS A 124 -10.036 3.054 36.560 1.00 1.40 H new ATOM 0 HE1 HIS A 124 -5.802 3.228 36.541 1.00 53.53 H new ATOM 0 HE2 HIS A 124 -7.918 4.163 37.598 1.00 5.24 H new ATOM 1963 N LYS A 125 -10.985 -0.855 36.446 1.00 41.11 N ATOM 1964 CA LYS A 125 -11.606 -0.952 37.759 1.00 4.14 C ATOM 1965 C LYS A 125 -11.407 -2.314 38.422 1.00 34.20 C ATOM 1966 O LYS A 125 -11.463 -2.453 39.644 1.00 2.33 O ATOM 1967 CB LYS A 125 -13.119 -0.586 37.676 1.00 24.10 C ATOM 1968 CG LYS A 125 -14.145 -1.730 37.564 1.00 75.15 C ATOM 1969 CD LYS A 125 -15.588 -1.216 37.415 1.00 1.13 C ATOM 1970 CE LYS A 125 -16.634 -2.325 37.267 1.00 41.05 C ATOM 1971 NZ LYS A 125 -16.781 -3.069 38.534 1.00 10.42 N ATOM 0 H LYS A 125 -11.652 -0.902 35.676 1.00 41.11 H new ATOM 0 HA LYS A 125 -11.099 -0.229 38.398 1.00 4.14 H new ATOM 0 HB2 LYS A 125 -13.368 -0.002 38.562 1.00 24.10 H new ATOM 0 HB3 LYS A 125 -13.256 0.068 36.815 1.00 24.10 H new ATOM 0 HG2 LYS A 125 -13.895 -2.355 36.707 1.00 75.15 H new ATOM 0 HG3 LYS A 125 -14.078 -2.362 38.450 1.00 75.15 H new ATOM 0 HD2 LYS A 125 -15.838 -0.609 38.285 1.00 1.13 H new ATOM 0 HD3 LYS A 125 -15.641 -0.562 36.545 1.00 1.13 H new ATOM 0 HE2 LYS A 125 -17.592 -1.893 36.979 1.00 41.05 H new ATOM 0 HE3 LYS A 125 -16.339 -3.007 36.470 1.00 41.05 H new ATOM 0 HZ1 LYS A 125 -17.518 -3.795 38.427 1.00 10.42 H new ATOM 0 HZ2 LYS A 125 -15.878 -3.525 38.776 1.00 10.42 H new ATOM 0 HZ3 LYS A 125 -17.051 -2.412 39.293 1.00 10.42 H new ATOM 1985 N LEU A 126 -11.197 -3.359 37.593 1.00 33.24 N ATOM 1986 CA LEU A 126 -11.045 -4.756 37.959 1.00 41.21 C ATOM 1987 C LEU A 126 -9.788 -5.086 38.749 1.00 24.00 C ATOM 1988 O LEU A 126 -8.750 -4.436 38.668 1.00 71.03 O ATOM 1989 CB LEU A 126 -11.092 -5.666 36.701 1.00 45.34 C ATOM 1990 CG LEU A 126 -12.464 -5.662 35.989 1.00 41.11 C ATOM 1991 CD1 LEU A 126 -12.375 -6.194 34.554 1.00 52.33 C ATOM 1992 CD2 LEU A 126 -13.527 -6.455 36.762 1.00 72.22 C ATOM 0 H LEU A 126 -11.127 -3.224 36.584 1.00 33.24 H new ATOM 0 HA LEU A 126 -11.889 -4.950 38.621 1.00 41.21 H new ATOM 0 HB2 LEU A 126 -10.326 -5.340 35.998 1.00 45.34 H new ATOM 0 HB3 LEU A 126 -10.845 -6.687 36.991 1.00 45.34 H new ATOM 0 HG LEU A 126 -12.770 -4.616 35.955 1.00 41.11 H new ATOM 0 HD11 LEU A 126 -13.364 -6.172 34.096 1.00 52.33 H new ATOM 0 HD12 LEU A 126 -11.693 -5.570 33.976 1.00 52.33 H new ATOM 0 HD13 LEU A 126 -12.005 -7.219 34.568 1.00 52.33 H new ATOM 0 HD21 LEU A 126 -14.472 -6.421 36.220 1.00 72.22 H new ATOM 0 HD22 LEU A 126 -13.205 -7.491 36.865 1.00 72.22 H new ATOM 0 HD23 LEU A 126 -13.660 -6.017 37.751 1.00 72.22 H new ATOM 2004 N ASP A 127 -9.885 -6.159 39.567 1.00 12.22 N ATOM 2005 CA ASP A 127 -8.842 -6.612 40.468 1.00 61.44 C ATOM 2006 C ASP A 127 -7.863 -7.562 39.771 1.00 62.54 C ATOM 2007 O ASP A 127 -6.924 -8.055 40.390 1.00 51.11 O ATOM 2008 CB ASP A 127 -9.516 -7.276 41.706 1.00 21.04 C ATOM 2009 CG ASP A 127 -8.552 -7.549 42.863 1.00 55.12 C ATOM 2010 OD1 ASP A 127 -8.452 -8.734 43.275 1.00 44.24 O ATOM 2011 OD2 ASP A 127 -7.949 -6.566 43.365 1.00 70.01 O ATOM 0 H ASP A 127 -10.723 -6.739 39.607 1.00 12.22 H new ATOM 0 HA ASP A 127 -8.247 -5.759 40.795 1.00 61.44 H new ATOM 0 HB2 ASP A 127 -10.320 -6.630 42.060 1.00 21.04 H new ATOM 0 HB3 ASP A 127 -9.974 -8.216 41.398 1.00 21.04 H new ATOM 2016 N TRP A 128 -8.060 -7.835 38.464 1.00 44.11 N ATOM 2017 CA TRP A 128 -7.169 -8.660 37.670 1.00 12.02 C ATOM 2018 C TRP A 128 -6.846 -7.869 36.419 1.00 14.40 C ATOM 2019 O TRP A 128 -7.624 -7.005 36.015 1.00 73.11 O ATOM 2020 CB TRP A 128 -7.790 -10.040 37.286 1.00 3.21 C ATOM 2021 CG TRP A 128 -9.023 -9.933 36.411 1.00 4.33 C ATOM 2022 CD1 TRP A 128 -10.258 -9.506 36.788 1.00 13.24 C ATOM 2023 CD2 TRP A 128 -9.063 -10.108 34.983 1.00 0.14 C ATOM 2024 NE1 TRP A 128 -11.061 -9.339 35.684 1.00 44.04 N ATOM 2025 CE2 TRP A 128 -10.349 -9.709 34.562 1.00 41.21 C ATOM 2026 CE3 TRP A 128 -8.105 -10.539 34.069 1.00 23.45 C ATOM 2027 CZ2 TRP A 128 -10.693 -9.719 33.215 1.00 35.33 C ATOM 2028 CZ3 TRP A 128 -8.467 -10.589 32.716 1.00 71.12 C ATOM 2029 CH2 TRP A 128 -9.735 -10.166 32.291 1.00 5.13 C ATOM 0 H TRP A 128 -8.857 -7.477 37.938 1.00 44.11 H new ATOM 0 HA TRP A 128 -6.279 -8.891 38.255 1.00 12.02 H new ATOM 0 HB2 TRP A 128 -7.038 -10.635 36.767 1.00 3.21 H new ATOM 0 HB3 TRP A 128 -8.048 -10.578 38.198 1.00 3.21 H new ATOM 0 HD1 TRP A 128 -10.564 -9.324 37.808 1.00 13.24 H new ATOM 0 HE1 TRP A 128 -12.022 -8.998 35.693 1.00 44.04 H new ATOM 0 HE3 TRP A 128 -7.115 -10.825 34.392 1.00 23.45 H new ATOM 0 HZ2 TRP A 128 -11.669 -9.392 32.889 1.00 35.33 H new ATOM 0 HZ3 TRP A 128 -7.759 -10.959 31.989 1.00 71.12 H new ATOM 0 HH2 TRP A 128 -9.978 -10.184 31.239 1.00 5.13 H new ATOM 2040 N ALA A 129 -5.690 -8.139 35.778 1.00 51.34 N ATOM 2041 CA ALA A 129 -5.291 -7.425 34.587 1.00 22.03 C ATOM 2042 C ALA A 129 -5.233 -8.351 33.374 1.00 61.01 C ATOM 2043 O ALA A 129 -4.433 -9.289 33.389 1.00 54.32 O ATOM 2044 CB ALA A 129 -3.915 -6.771 34.790 1.00 41.53 C ATOM 0 H ALA A 129 -5.027 -8.852 36.081 1.00 51.34 H new ATOM 0 HA ALA A 129 -6.040 -6.655 34.402 1.00 22.03 H new ATOM 0 HB1 ALA A 129 -3.629 -6.237 33.884 1.00 41.53 H new ATOM 0 HB2 ALA A 129 -3.965 -6.071 35.624 1.00 41.53 H new ATOM 0 HB3 ALA A 129 -3.175 -7.541 35.007 1.00 41.53 H new ATOM 2050 N PRO A 130 -6.003 -8.168 32.298 1.00 41.12 N ATOM 2051 CA PRO A 130 -5.646 -8.691 30.978 1.00 32.22 C ATOM 2052 C PRO A 130 -4.447 -7.918 30.441 1.00 33.34 C ATOM 2053 O PRO A 130 -4.305 -6.724 30.704 1.00 22.42 O ATOM 2054 CB PRO A 130 -6.914 -8.429 30.149 1.00 54.14 C ATOM 2055 CG PRO A 130 -7.547 -7.187 30.782 1.00 54.42 C ATOM 2056 CD PRO A 130 -7.207 -7.325 32.262 1.00 42.15 C ATOM 0 HA PRO A 130 -5.359 -9.743 30.968 1.00 32.22 H new ATOM 0 HB2 PRO A 130 -6.672 -8.258 29.100 1.00 54.14 H new ATOM 0 HB3 PRO A 130 -7.593 -9.281 30.185 1.00 54.14 H new ATOM 0 HG2 PRO A 130 -7.137 -6.269 30.360 1.00 54.42 H new ATOM 0 HG3 PRO A 130 -8.624 -7.159 30.619 1.00 54.42 H new ATOM 0 HD2 PRO A 130 -7.021 -6.352 32.717 1.00 42.15 H new ATOM 0 HD3 PRO A 130 -8.027 -7.784 32.814 1.00 42.15 H new ATOM 2064 N THR A 131 -3.573 -8.579 29.656 1.00 24.50 N ATOM 2065 CA THR A 131 -2.584 -7.901 28.831 1.00 50.04 C ATOM 2066 C THR A 131 -3.251 -7.413 27.561 1.00 13.24 C ATOM 2067 O THR A 131 -4.375 -7.794 27.235 1.00 24.33 O ATOM 2068 CB THR A 131 -1.339 -8.757 28.555 1.00 0.44 C ATOM 2069 OG1 THR A 131 -0.327 -8.028 27.866 1.00 11.30 O ATOM 2070 CG2 THR A 131 -1.679 -10.038 27.771 1.00 30.30 C ATOM 0 H THR A 131 -3.542 -9.596 29.584 1.00 24.50 H new ATOM 0 HA THR A 131 -2.205 -7.041 29.384 1.00 50.04 H new ATOM 0 HB THR A 131 -0.952 -9.042 29.533 1.00 0.44 H new ATOM 0 HG1 THR A 131 0.447 -8.609 27.712 1.00 11.30 H new ATOM 0 HG21 THR A 131 -0.768 -10.612 27.599 1.00 30.30 H new ATOM 0 HG22 THR A 131 -2.384 -10.640 28.345 1.00 30.30 H new ATOM 0 HG23 THR A 131 -2.126 -9.771 26.813 1.00 30.30 H new ATOM 2078 N LEU A 132 -2.569 -6.540 26.794 1.00 0.25 N ATOM 2079 CA LEU A 132 -3.100 -5.901 25.603 1.00 70.20 C ATOM 2080 C LEU A 132 -3.459 -6.909 24.538 1.00 42.21 C ATOM 2081 O LEU A 132 -4.450 -6.735 23.836 1.00 11.20 O ATOM 2082 CB LEU A 132 -2.145 -4.838 24.994 1.00 43.14 C ATOM 2083 CG LEU A 132 -2.022 -3.512 25.790 1.00 75.33 C ATOM 2084 CD1 LEU A 132 -3.387 -2.833 25.992 1.00 5.01 C ATOM 2085 CD2 LEU A 132 -1.275 -3.636 27.129 1.00 41.15 C ATOM 0 H LEU A 132 -1.610 -6.261 27.002 1.00 0.25 H new ATOM 0 HA LEU A 132 -4.001 -5.388 25.939 1.00 70.20 H new ATOM 0 HB2 LEU A 132 -1.152 -5.278 24.901 1.00 43.14 H new ATOM 0 HB3 LEU A 132 -2.486 -4.605 23.985 1.00 43.14 H new ATOM 0 HG LEU A 132 -1.401 -2.875 25.160 1.00 75.33 H new ATOM 0 HD11 LEU A 132 -3.254 -1.908 26.554 1.00 5.01 H new ATOM 0 HD12 LEU A 132 -3.828 -2.607 25.021 1.00 5.01 H new ATOM 0 HD13 LEU A 132 -4.048 -3.501 26.544 1.00 5.01 H new ATOM 0 HD21 LEU A 132 -1.237 -2.662 27.616 1.00 41.15 H new ATOM 0 HD22 LEU A 132 -1.797 -4.344 27.773 1.00 41.15 H new ATOM 0 HD23 LEU A 132 -0.260 -3.991 26.948 1.00 41.15 H new ATOM 2097 N ASP A 133 -2.700 -8.026 24.449 1.00 74.01 N ATOM 2098 CA ASP A 133 -2.928 -9.080 23.468 1.00 31.01 C ATOM 2099 C ASP A 133 -4.319 -9.692 23.595 1.00 52.11 C ATOM 2100 O ASP A 133 -4.977 -9.936 22.596 1.00 14.04 O ATOM 2101 CB ASP A 133 -1.895 -10.229 23.618 1.00 0.42 C ATOM 2102 CG ASP A 133 -0.502 -9.770 23.213 1.00 2.03 C ATOM 2103 OD1 ASP A 133 0.399 -9.825 24.091 1.00 73.34 O ATOM 2104 OD2 ASP A 133 -0.324 -9.372 22.034 1.00 13.50 O ATOM 0 H ASP A 133 -1.909 -8.210 25.067 1.00 74.01 H new ATOM 0 HA ASP A 133 -2.825 -8.602 22.494 1.00 31.01 H new ATOM 0 HB2 ASP A 133 -1.881 -10.577 24.651 1.00 0.42 H new ATOM 0 HB3 ASP A 133 -2.196 -11.076 23.001 1.00 0.42 H new ATOM 2109 N VAL A 134 -4.784 -9.924 24.834 1.00 71.32 N ATOM 2110 CA VAL A 134 -6.107 -10.418 25.188 1.00 4.13 C ATOM 2111 C VAL A 134 -7.160 -9.342 25.333 1.00 53.43 C ATOM 2112 O VAL A 134 -8.260 -9.489 24.799 1.00 34.33 O ATOM 2113 CB VAL A 134 -6.067 -11.358 26.369 1.00 11.11 C ATOM 2114 CG1 VAL A 134 -5.283 -10.765 27.509 1.00 13.20 C ATOM 2115 CG2 VAL A 134 -7.457 -11.853 26.814 1.00 30.42 C ATOM 0 H VAL A 134 -4.205 -9.759 25.657 1.00 71.32 H new ATOM 0 HA VAL A 134 -6.432 -11.000 24.325 1.00 4.13 H new ATOM 0 HB VAL A 134 -5.543 -12.252 26.030 1.00 11.11 H new ATOM 0 HG11 VAL A 134 -5.271 -11.464 28.345 1.00 13.20 H new ATOM 0 HG12 VAL A 134 -4.261 -10.570 27.185 1.00 13.20 H new ATOM 0 HG13 VAL A 134 -5.748 -9.831 27.824 1.00 13.20 H new ATOM 0 HG21 VAL A 134 -7.349 -12.524 27.666 1.00 30.42 H new ATOM 0 HG22 VAL A 134 -8.073 -11.000 27.099 1.00 30.42 H new ATOM 0 HG23 VAL A 134 -7.934 -12.386 25.991 1.00 30.42 H new ATOM 2125 N ALA A 135 -6.856 -8.209 26.016 1.00 44.12 N ATOM 2126 CA ALA A 135 -7.807 -7.131 26.215 1.00 14.51 C ATOM 2127 C ALA A 135 -8.242 -6.467 24.935 1.00 75.32 C ATOM 2128 O ALA A 135 -9.434 -6.315 24.683 1.00 53.33 O ATOM 2129 CB ALA A 135 -7.223 -6.048 27.139 1.00 44.42 C ATOM 0 H ALA A 135 -5.943 -8.036 26.436 1.00 44.12 H new ATOM 0 HA ALA A 135 -8.680 -7.601 26.667 1.00 14.51 H new ATOM 0 HB1 ALA A 135 -7.954 -5.251 27.273 1.00 44.42 H new ATOM 0 HB2 ALA A 135 -6.983 -6.487 28.108 1.00 44.42 H new ATOM 0 HB3 ALA A 135 -6.317 -5.638 26.692 1.00 44.42 H new ATOM 2135 N VAL A 136 -7.295 -6.101 24.043 1.00 63.22 N ATOM 2136 CA VAL A 136 -7.700 -5.566 22.760 1.00 73.11 C ATOM 2137 C VAL A 136 -8.094 -6.711 21.878 1.00 43.40 C ATOM 2138 O VAL A 136 -8.914 -6.564 20.978 1.00 52.10 O ATOM 2139 CB VAL A 136 -6.676 -4.716 22.049 1.00 52.32 C ATOM 2140 CG1 VAL A 136 -5.967 -3.793 23.058 1.00 74.31 C ATOM 2141 CG2 VAL A 136 -5.749 -5.442 21.070 1.00 71.24 C ATOM 0 H VAL A 136 -6.288 -6.168 24.194 1.00 63.22 H new ATOM 0 HA VAL A 136 -8.527 -4.887 22.967 1.00 73.11 H new ATOM 0 HB VAL A 136 -7.230 -4.088 21.351 1.00 52.32 H new ATOM 0 HG11 VAL A 136 -5.229 -3.183 22.537 1.00 74.31 H new ATOM 0 HG12 VAL A 136 -6.701 -3.145 23.537 1.00 74.31 H new ATOM 0 HG13 VAL A 136 -5.468 -4.397 23.816 1.00 74.31 H new ATOM 0 HG21 VAL A 136 -5.059 -4.726 20.623 1.00 71.24 H new ATOM 0 HG22 VAL A 136 -5.184 -6.206 21.603 1.00 71.24 H new ATOM 0 HG23 VAL A 136 -6.343 -5.911 20.286 1.00 71.24 H new ATOM 2151 N GLY A 137 -7.489 -7.897 22.113 1.00 43.32 N ATOM 2152 CA GLY A 137 -7.689 -9.035 21.246 1.00 24.31 C ATOM 2153 C GLY A 137 -9.097 -9.533 21.200 1.00 44.03 C ATOM 2154 O GLY A 137 -9.600 -9.795 20.117 1.00 23.11 O ATOM 0 H GLY A 137 -6.863 -8.071 22.899 1.00 43.32 H new ATOM 0 HA2 GLY A 137 -7.378 -8.767 20.236 1.00 24.31 H new ATOM 0 HA3 GLY A 137 -7.040 -9.846 21.575 1.00 24.31 H new ATOM 2158 N GLU A 138 -9.792 -9.654 22.358 1.00 51.43 N ATOM 2159 CA GLU A 138 -11.196 -10.034 22.367 1.00 55.34 C ATOM 2160 C GLU A 138 -12.103 -8.995 21.723 1.00 65.20 C ATOM 2161 O GLU A 138 -13.066 -9.358 21.048 1.00 41.10 O ATOM 2162 CB GLU A 138 -11.733 -10.395 23.771 1.00 43.42 C ATOM 2163 CG GLU A 138 -10.934 -11.577 24.349 1.00 52.51 C ATOM 2164 CD GLU A 138 -11.705 -12.329 25.420 1.00 25.33 C ATOM 2165 OE1 GLU A 138 -11.346 -12.182 26.612 1.00 33.44 O ATOM 2166 OE2 GLU A 138 -12.595 -13.126 25.029 1.00 63.33 O ATOM 0 H GLU A 138 -9.393 -9.492 23.282 1.00 51.43 H new ATOM 0 HA GLU A 138 -11.224 -10.937 21.758 1.00 55.34 H new ATOM 0 HB2 GLU A 138 -11.654 -9.533 24.433 1.00 43.42 H new ATOM 0 HB3 GLU A 138 -12.790 -10.654 23.710 1.00 43.42 H new ATOM 0 HG2 GLU A 138 -10.673 -12.264 23.544 1.00 52.51 H new ATOM 0 HG3 GLU A 138 -9.999 -11.208 24.770 1.00 52.51 H new ATOM 2173 N LEU A 139 -11.794 -7.678 21.877 1.00 11.14 N ATOM 2174 CA LEU A 139 -12.471 -6.619 21.156 1.00 4.41 C ATOM 2175 C LEU A 139 -12.293 -6.724 19.693 1.00 54.12 C ATOM 2176 O LEU A 139 -13.261 -6.793 18.942 1.00 3.43 O ATOM 2177 CB LEU A 139 -11.886 -5.216 21.436 1.00 61.42 C ATOM 2178 CG LEU A 139 -12.263 -4.590 22.753 1.00 53.41 C ATOM 2179 CD1 LEU A 139 -11.434 -3.311 22.955 1.00 55.33 C ATOM 2180 CD2 LEU A 139 -13.751 -4.239 22.680 1.00 30.43 C ATOM 0 H LEU A 139 -11.066 -7.345 22.509 1.00 11.14 H new ATOM 0 HA LEU A 139 -13.503 -6.732 21.489 1.00 4.41 H new ATOM 0 HB2 LEU A 139 -10.799 -5.282 21.386 1.00 61.42 H new ATOM 0 HB3 LEU A 139 -12.202 -4.547 20.636 1.00 61.42 H new ATOM 0 HG LEU A 139 -12.071 -5.269 23.584 1.00 53.41 H new ATOM 0 HD11 LEU A 139 -11.701 -2.851 23.907 1.00 55.33 H new ATOM 0 HD12 LEU A 139 -10.373 -3.562 22.958 1.00 55.33 H new ATOM 0 HD13 LEU A 139 -11.640 -2.612 22.144 1.00 55.33 H new ATOM 0 HD21 LEU A 139 -14.063 -3.782 23.619 1.00 30.43 H new ATOM 0 HD22 LEU A 139 -13.920 -3.539 21.862 1.00 30.43 H new ATOM 0 HD23 LEU A 139 -14.331 -5.146 22.508 1.00 30.43 H new ATOM 2192 N LEU A 140 -11.022 -6.768 19.264 1.00 64.13 N ATOM 2193 CA LEU A 140 -10.739 -6.794 17.850 1.00 14.52 C ATOM 2194 C LEU A 140 -11.197 -8.081 17.183 1.00 43.25 C ATOM 2195 O LEU A 140 -11.795 -8.047 16.113 1.00 64.34 O ATOM 2196 CB LEU A 140 -9.240 -6.527 17.549 1.00 65.00 C ATOM 2197 CG LEU A 140 -8.735 -5.101 17.888 1.00 20.54 C ATOM 2198 CD1 LEU A 140 -7.249 -4.949 17.512 1.00 64.35 C ATOM 2199 CD2 LEU A 140 -9.541 -3.965 17.251 1.00 24.03 C ATOM 0 H LEU A 140 -10.203 -6.785 19.871 1.00 64.13 H new ATOM 0 HA LEU A 140 -11.320 -5.979 17.418 1.00 14.52 H new ATOM 0 HB2 LEU A 140 -8.642 -7.248 18.106 1.00 65.00 H new ATOM 0 HB3 LEU A 140 -9.061 -6.715 16.490 1.00 65.00 H new ATOM 0 HG LEU A 140 -8.873 -5.004 18.965 1.00 20.54 H new ATOM 0 HD11 LEU A 140 -6.913 -3.942 17.757 1.00 64.35 H new ATOM 0 HD12 LEU A 140 -6.657 -5.675 18.069 1.00 64.35 H new ATOM 0 HD13 LEU A 140 -7.125 -5.123 16.443 1.00 64.35 H new ATOM 0 HD21 LEU A 140 -9.114 -3.006 17.545 1.00 24.03 H new ATOM 0 HD22 LEU A 140 -9.508 -4.060 16.166 1.00 24.03 H new ATOM 0 HD23 LEU A 140 -10.576 -4.020 17.589 1.00 24.03 H new ATOM 2211 N ALA A 141 -11.013 -9.252 17.828 1.00 30.20 N ATOM 2212 CA ALA A 141 -11.502 -10.521 17.331 1.00 70.03 C ATOM 2213 C ALA A 141 -13.010 -10.566 17.150 1.00 23.51 C ATOM 2214 O ALA A 141 -13.487 -11.134 16.173 1.00 73.41 O ATOM 2215 CB ALA A 141 -11.081 -11.663 18.275 1.00 10.43 C ATOM 0 H ALA A 141 -10.514 -9.326 18.715 1.00 30.20 H new ATOM 0 HA ALA A 141 -11.053 -10.645 16.346 1.00 70.03 H new ATOM 0 HB1 ALA A 141 -11.456 -12.611 17.889 1.00 10.43 H new ATOM 0 HB2 ALA A 141 -9.993 -11.701 18.338 1.00 10.43 H new ATOM 0 HB3 ALA A 141 -11.496 -11.486 19.267 1.00 10.43 H new ATOM 2221 N ASP A 142 -13.800 -9.973 18.073 1.00 13.41 N ATOM 2222 CA ASP A 142 -15.244 -9.934 17.954 1.00 42.13 C ATOM 2223 C ASP A 142 -15.722 -8.709 17.155 1.00 3.13 C ATOM 2224 O ASP A 142 -16.922 -8.520 16.975 1.00 73.10 O ATOM 2225 CB ASP A 142 -15.841 -9.983 19.390 1.00 60.13 C ATOM 2226 CG ASP A 142 -17.330 -10.314 19.425 1.00 73.33 C ATOM 2227 OD1 ASP A 142 -18.087 -9.565 20.101 1.00 54.30 O ATOM 2228 OD2 ASP A 142 -17.714 -11.353 18.828 1.00 25.32 O ATOM 0 H ASP A 142 -13.441 -9.515 18.911 1.00 13.41 H new ATOM 0 HA ASP A 142 -15.597 -10.795 17.387 1.00 42.13 H new ATOM 0 HB2 ASP A 142 -15.299 -10.727 19.974 1.00 60.13 H new ATOM 0 HB3 ASP A 142 -15.681 -9.019 19.874 1.00 60.13 H new ATOM 2233 N THR A 143 -14.806 -7.845 16.653 1.00 10.40 N ATOM 2234 CA THR A 143 -15.154 -6.670 15.841 1.00 25.13 C ATOM 2235 C THR A 143 -15.282 -6.992 14.337 1.00 61.44 C ATOM 2236 O THR A 143 -14.259 -7.390 13.719 1.00 0.00 O ATOM 2237 CB THR A 143 -14.188 -5.500 16.005 1.00 5.14 C ATOM 2238 OG1 THR A 143 -14.275 -4.987 17.325 1.00 63.15 O ATOM 2239 CG2 THR A 143 -14.466 -4.327 15.044 1.00 0.22 C ATOM 2240 OXT THR A 143 -16.403 -6.813 13.788 1.00 0.00 O ATOM 0 H THR A 143 -13.803 -7.951 16.805 1.00 10.40 H new ATOM 0 HA THR A 143 -16.127 -6.372 16.230 1.00 25.13 H new ATOM 0 HB THR A 143 -13.200 -5.902 15.780 1.00 5.14 H new ATOM 0 HG1 THR A 143 -13.949 -5.659 17.959 1.00 63.15 H new ATOM 0 HG21 THR A 143 -13.740 -3.533 15.219 1.00 0.22 H new ATOM 0 HG22 THR A 143 -14.384 -4.673 14.014 1.00 0.22 H new ATOM 0 HG23 THR A 143 -15.471 -3.944 15.219 1.00 0.22 H new TER 2248 THR A 143